#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 n LEU 2 N 0.00 -0.77 -2.71 -0.89 7.94 -1.26 -4.99 117.00 114.32 1du2 n LEU 2 Ca 0.00 -1.77 -0.07 0.00 -1.11 0.00 0.00 56.01 53.05 1du2 n LEU 2 Cb 0.00 0.18 0.10 0.00 0.53 0.00 0.00 43.42 44.23 1du2 n LEU 2 CO 0.00 1.28 0.46 2.29 -1.11 0.00 0.00 177.39 180.31 1du2 n LYS 3 N -0.43 1.03 0.00 1.96 2.85 -1.26 -5.13 118.16 117.18 1du2 n LYS 3 Ca -0.15 -1.75 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 1du2 n LYS 3 Cb 0.63 -0.44 0.00 0.00 -0.65 0.00 0.00 35.03 34.57 1du2 n LYS 3 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1du2 n ASN 4 N -0.17 0.00 -3.76 -5.58 2.85 -1.26 -5.14 115.26 102.20 1du2 n ASN 4 Ca -0.01 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.17 1du2 n ASN 4 Cb 0.78 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.64 1du2 n ASN 4 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1du2 s LEU 5 N 0.00 1.68 -0.37 1.20 1.02 -1.26 -4.85 118.68 116.10 1du2 s LEU 5 Ca 0.00 -1.11 0.12 0.00 0.02 0.00 0.00 54.13 53.17 1du2 s LEU 5 Cb 0.00 -0.76 0.37 0.00 0.02 0.00 0.00 46.19 45.82 1du2 s LEU 5 CO 0.00 -0.33 0.78 0.00 0.02 0.00 0.00 176.35 176.83 1du2 n ALA 6 N 4.94 2.42 0.07 4.21 0.00 -1.26 -4.89 120.51 126.01 1du2 n ALA 6 Ca -0.08 -3.44 -0.12 0.00 0.00 0.00 0.00 53.44 49.80 1du2 n ALA 6 Cb 0.45 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1du2 n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1du2 h LYS 7 N 2.99 0.34 -7.00 0.00 1.63 -2.07 -3.47 116.57 108.99 1du2 h LYS 7 Ca 0.07 -0.38 -0.58 0.00 -0.85 0.00 0.00 60.65 58.91 1du2 h LYS 7 Cb 0.98 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 32.65 1du2 h LYS 7 CO 0.52 1.07 -0.95 1.47 -3.45 0.00 0.00 179.45 178.11 1du2 n LEU 8 N -3.70 -0.32 0.00 5.20 -0.00 -1.26 -4.76 117.00 112.16 1du2 n LEU 8 Ca -0.06 -1.24 0.00 0.00 -0.00 0.00 0.00 56.01 54.71 1du2 n LEU 8 Cb 0.84 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.76 1du2 n LEU 8 CO 0.50 0.70 0.00 -0.67 -0.00 0.00 0.00 177.39 177.92 1du2 n ASP 9 N -2.17 0.00 -0.12 1.45 2.03 -1.26 -5.00 116.55 111.48 1du2 n ASP 9 Ca -0.16 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.25 1du2 n ASP 9 Cb 0.57 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.94 1du2 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1du2 n GLN 10 N 0.00 0.29 0.08 -0.67 10.64 -1.26 -4.34 117.38 122.12 1du2 n GLN 10 Ca 0.00 -0.23 -0.13 0.00 -1.83 0.00 0.00 57.00 54.81 1du2 n GLN 10 Cb 0.00 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 27.80 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1du2 h THR 11 N 0.57 0.99 0.00 -0.39 2.02 -2.00 -1.94 112.91 112.17 1du2 h THR 11 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1du2 h THR 11 Cb 0.55 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1du2 h THR 11 CO 0.00 0.10 0.00 -0.08 0.37 0.00 0.00 175.52 175.91 1du2 h GLU 12 N -0.33 0.00 -0.04 6.66 4.81 -1.97 -1.00 114.58 122.71 1du2 h GLU 12 Ca -0.02 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 1du2 h GLU 12 Cb 0.27 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1du2 h GLU 12 CO 0.03 0.00 -0.77 1.98 -0.73 0.00 0.00 179.01 179.51 1du2 h MET 13 N 0.00 0.32 0.00 1.92 4.05 -1.56 0.27 114.93 119.92 1du2 h MET 13 Ca 0.00 -0.28 -0.11 0.00 -0.28 0.00 0.00 59.70 59.02 1du2 h MET 13 Cb 0.10 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1du2 h MET 13 CO 0.00 0.95 -0.53 0.22 0.23 0.00 0.00 176.91 177.77 1du2 h ASP 14 N 0.21 0.00 0.00 1.39 3.58 -1.02 -2.83 116.42 117.75 1du2 h ASP 14 Ca -0.04 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 1du2 h ASP 14 Cb 1.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1du2 h ASP 14 CO 0.13 0.53 -0.32 0.11 -2.88 0.00 0.00 179.24 176.81 1du2 h LYS 15 N 0.00 0.00 -1.44 0.28 6.56 -1.47 -3.23 116.57 117.28 1du2 h LYS 15 Ca -0.01 0.00 0.44 0.00 -1.06 0.00 0.00 60.65 60.03 1du2 h LYS 15 Cb 0.94 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.50 1du2 h LYS 15 CO 0.07 0.78 0.97 0.28 -2.06 0.00 0.00 179.45 179.49 1du2 h VAL 16 N -1.00 0.16 0.08 0.50 2.07 -0.49 0.40 116.25 117.97 1du2 h VAL 16 Ca -0.08 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1du2 h VAL 16 Cb 0.88 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1du2 h VAL 16 CO -0.05 0.01 -0.04 -1.13 0.02 0.00 0.00 177.57 176.39 1du2 h ASN 17 N 0.08 -0.09 -0.66 0.57 -0.00 -1.58 -2.92 115.58 110.98 1du2 h ASN 17 Ca 0.80 0.00 0.19 0.00 -0.00 0.00 0.00 56.30 57.29 1du2 h ASN 17 Cb 2.74 0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 41.06 1du2 h ASN 17 CO -0.27 -0.04 0.78 0.58 -0.00 0.00 0.00 177.43 178.48 1du2 h VAL 18 N -0.14 0.18 -0.83 2.57 2.07 -0.96 0.98 116.25 120.13 1du2 h VAL 18 Ca -0.01 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.75 1du2 h VAL 18 Cb 0.08 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1du2 h VAL 18 CO 0.02 0.00 0.59 -0.78 0.02 0.00 0.00 177.57 177.42 1du2 h ASP 19 N 0.00 0.03 1.32 0.57 3.58 -0.11 1.42 116.42 123.23 1du2 h ASP 19 Ca 0.31 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.66 1du2 h ASP 19 Cb 1.88 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.91 1du2 h ASP 19 CO -0.00 0.01 -0.71 0.25 -2.88 0.00 0.00 179.24 175.91 1du2 h LEU 20 N 0.03 0.00 0.00 2.28 6.46 0.93 -3.37 115.31 121.64 1du2 h LEU 20 Ca 0.40 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1du2 h LEU 20 Cb 1.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.47 1du2 h LEU 20 CO -0.02 0.45 0.00 0.00 -0.62 0.00 0.00 178.44 178.25 1du2 n ALA 21 N -2.25 -0.10 0.00 1.25 0.00 0.48 -5.03 120.51 114.86 1du2 n ALA 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1du2 n ALA 21 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1du2 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 22 N -1.11 0.00 0.00 0.00 0.00 -1.13 -5.13 120.51 113.14 1du2 n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -2.00 0.00 0.00 0.00 -1.26 -4.78 120.51 112.46 1du2 n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 23 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.25 -1.12 0.03 0.00 0.00 -1.26 -4.87 105.19 98.22 1du2 n GLY 24 Ca 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 0.36 0.00 1.61 0.31 -1.26 -4.41 118.33 114.93 1du2 n VAL 25 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1du2 n VAL 25 Cb 0.00 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.13 0.00 -3.61 3.52 0.00 -1.26 -4.07 120.51 112.95 1du2 n ALA 26 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1du2 n ALA 26 Cb 0.59 0.31 -0.14 0.00 0.00 0.00 0.00 19.45 20.21 1du2 n ALA 26 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1du2 s PHE 27 N -2.25 2.95 0.00 0.00 0.08 -1.26 -4.32 117.98 113.18 1du2 s PHE 27 Ca 0.00 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.92 1du2 s PHE 27 Cb 0.00 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1du2 s PHE 27 CO 0.00 -0.61 0.00 1.17 -0.10 0.00 0.00 175.22 175.68 1du2 n LYS 28 N 4.76 0.00 0.17 0.44 3.00 -1.26 -4.54 118.16 120.73 1du2 n LYS 28 Ca -0.18 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.24 1du2 n LYS 28 Cb 0.50 0.00 0.27 0.00 0.00 0.00 0.00 35.03 35.80 1du2 n LYS 28 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1du2 h GLU 29 N 0.00 0.00 -0.64 1.64 4.11 -1.82 0.23 114.58 118.10 1du2 h GLU 29 Ca 0.00 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.62 1du2 h GLU 29 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1du2 h GLU 29 CO 0.00 0.00 0.91 0.00 0.07 0.00 0.00 179.01 179.99 1du2 h ARG 30 N 0.00 0.00 -0.87 1.06 3.08 -1.95 2.39 114.38 118.09 1du2 h ARG 30 Ca 0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1du2 h ARG 30 Cb 2.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.05 1du2 h ARG 30 CO -0.00 0.00 0.03 2.48 -1.07 0.00 0.00 179.97 181.41 1du2 n TYR 31 N -3.24 0.81 -2.75 3.04 0.18 0.79 -4.86 117.16 111.14 1du2 n TYR 31 Ca 0.14 -0.36 -0.08 0.00 1.88 0.00 0.00 57.90 59.48 1du2 n TYR 31 Cb 1.12 -0.29 0.04 0.00 -0.38 0.00 0.00 39.34 39.83 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 0.18 -5.70 -4.66 9.48 2.85 0.80 -4.95 115.26 113.27 1du2 n ASN 32 Ca 0.12 -0.38 -0.43 0.00 -0.11 0.00 0.00 54.58 53.78 1du2 n ASN 32 Cb 0.64 -4.04 -0.02 0.00 1.24 0.00 0.00 39.78 37.59 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1du2 s MET 33 N -3.71 4.26 1.03 1.20 1.75 -0.70 -5.04 119.30 118.09 1du2 s MET 33 Ca 0.24 1.30 -0.17 0.00 -1.25 0.00 0.00 55.69 55.81 1du2 s MET 33 Cb -0.03 -3.64 0.25 0.00 2.84 0.00 0.00 34.83 34.25 1du2 s MET 33 CO 0.55 -0.60 1.14 -0.35 -0.65 0.00 0.00 175.02 175.10 1du2 n PRO 34 N 6.22 -2.09 -0.50 4.11 -0.04 -1.26 -4.81 135.00 136.63 1du2 n PRO 34 Ca 0.11 -1.78 -0.12 0.00 -0.04 0.00 0.00 63.50 61.67 1du2 n PRO 34 Cb 0.46 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -4.20 1.59 -3.78 0.52 3.14 -1.26 -4.68 118.33 109.66 1du2 n VAL 35 Ca 0.15 -0.90 -0.10 0.00 -2.96 0.00 0.00 64.34 60.53 1du2 n VAL 35 Cb 0.54 -1.87 -0.07 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 3.17 0.10 -0.06 1.55 1.01 -1.26 -5.06 121.20 120.65 1du2 s ILE 36 Ca 0.29 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1du2 s ILE 36 Cb 0.10 -1.07 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 1du2 s ILE 36 CO -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 174.94 174.45 1du2 n ALA 37 N 0.31 1.86 0.25 9.38 0.00 -1.26 -4.47 120.51 126.57 1du2 n ALA 37 Ca -0.17 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.05 1du2 n ALA 37 Cb 0.61 0.21 0.59 0.00 0.00 0.00 0.00 19.45 20.86 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 0.00 0.00 4.81 -1.98 0.17 114.58 117.59 1du2 h GLU 38 Ca -0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1du2 h GLU 38 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1du2 h GLU 38 CO -0.00 0.00 -1.05 0.00 -0.73 0.00 0.00 179.01 177.23 1du2 h ALA 39 N 2.08 0.54 -0.65 2.92 0.00 -1.97 -2.69 119.26 119.49 1du2 h ALA 39 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1du2 h ALA 39 Cb 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1du2 h ALA 39 CO 0.00 0.16 0.21 0.28 0.00 0.00 0.00 179.25 179.90 1du2 h VAL 40 N 0.00 1.25 0.15 0.00 2.07 -0.87 0.54 116.25 119.39 1du2 h VAL 40 Ca -0.03 -0.85 -0.33 0.00 0.82 0.00 0.00 66.70 66.31 1du2 h VAL 40 Cb 1.10 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1du2 h VAL 40 CO 0.01 0.33 -1.62 -0.33 0.02 0.00 0.00 177.57 175.97 1du2 h GLU 41 N 0.95 0.32 -0.29 1.57 4.39 -1.66 -2.48 114.58 117.38 1du2 h GLU 41 Ca 0.21 -0.55 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 1du2 h GLU 41 Cb 0.29 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1du2 h GLU 41 CO -0.01 1.21 -0.10 -0.09 -1.16 0.00 0.00 179.01 178.86 1du2 h ARG 42 N 0.09 0.47 0.00 2.33 9.65 -1.37 -3.35 114.38 122.20 1du2 h ARG 42 Ca -0.29 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1du2 h ARG 42 Cb 2.06 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.58 1du2 h ARG 42 CO 0.17 0.58 0.00 0.39 2.80 0.00 0.00 179.97 183.91 1du2 n GLU 43 N -4.23 0.00 -3.21 0.20 -0.58 0.19 -4.99 120.64 108.03 1du2 n GLU 43 Ca 0.01 0.12 0.01 0.00 -0.42 0.00 0.00 57.16 56.87 1du2 n GLU 43 Cb 0.30 -0.60 -0.03 0.00 -0.57 0.00 0.00 31.44 30.54 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 -0.25 0.51 0.09 3.49 -0.44 -0.95 -5.07 119.66 117.04 1du2 s GLN 44 Ca 0.00 0.89 -0.30 0.00 -2.50 0.00 0.00 55.36 53.44 1du2 s GLN 44 Cb 0.00 0.29 -0.06 0.00 -1.64 0.00 0.00 33.01 31.60 1du2 s GLN 44 CO 0.00 -0.62 1.16 -1.25 0.50 0.00 0.00 175.29 175.07 1du2 s PRO 45 N 2.78 4.48 0.10 1.67 0.04 -1.16 -4.71 135.00 138.19 1du2 s PRO 45 Ca 0.19 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 1du2 s PRO 45 Cb -0.15 -3.34 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 1du2 s PRO 45 CO -0.20 -0.16 1.71 1.05 0.04 0.00 0.00 177.00 179.44 1du2 h GLU 46 N 6.37 -0.14 -0.86 4.56 -0.00 -1.80 -2.20 114.58 120.52 1du2 h GLU 46 Ca -0.42 0.01 0.22 0.00 -0.00 0.00 0.00 59.36 59.17 1du2 h GLU 46 Cb 1.21 0.03 -0.14 0.00 -0.00 0.00 0.00 28.75 29.86 1du2 h GLU 46 CO 0.78 -0.09 0.20 1.12 -0.00 0.00 0.00 179.01 181.02 1du2 h HIS 47 N -0.14 0.28 -0.56 2.06 2.07 -1.90 2.17 115.15 119.12 1du2 h HIS 47 Ca 0.01 0.05 0.16 0.00 -2.85 0.00 0.00 60.37 57.75 1du2 h HIS 47 Cb 0.16 0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 1du2 h HIS 47 CO -0.12 -0.21 0.55 -0.07 -3.07 0.00 0.00 177.93 175.01 1du2 h LEU 48 N 0.19 0.00 -1.02 6.12 -0.00 -1.77 2.11 115.31 120.94 1du2 h LEU 48 Ca 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.43 1du2 h LEU 48 Cb 1.04 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.65 1du2 h LEU 48 CO -0.66 0.00 0.66 0.08 -0.00 0.00 0.00 178.44 178.52 1du2 h ARG 49 N 0.00 1.28 0.00 1.13 0.11 0.36 0.42 114.38 117.68 1du2 h ARG 49 Ca 0.27 -0.08 -0.21 0.00 0.10 0.00 0.00 59.98 60.06 1du2 h ARG 49 Cb 1.37 -0.29 -0.04 0.00 1.11 0.00 0.00 29.97 32.12 1du2 h ARG 49 CO -0.00 0.85 -2.03 0.43 0.10 0.00 0.00 179.97 179.32 1du2 n SER 50 N -4.40 0.97 0.27 0.08 7.64 0.18 -2.15 113.62 116.20 1du2 n SER 50 Ca 0.12 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.16 1du2 n SER 50 Cb 0.04 1.17 0.63 0.00 -1.01 0.00 0.00 64.21 65.04 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 0.32 1.46 115.95 119.16 1du2 h TRP 51 Ca -0.31 0.00 -0.25 0.00 -0.00 0.00 0.00 58.89 58.33 1du2 h TRP 51 Cb 1.66 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.77 1du2 h TRP 51 CO 0.00 0.04 -1.91 0.34 -0.00 0.00 0.00 178.44 176.91 1du2 n PHE 52 N -3.15 0.00 1.21 0.49 7.35 0.15 -4.50 117.46 118.99 1du2 n PHE 52 Ca 0.01 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.82 1du2 n PHE 52 Cb 0.33 -0.61 0.39 0.00 0.35 0.00 0.00 39.48 39.94 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 -3.08 1.84 -0.31 -4.13 0.63 -0.91 -4.39 116.66 106.31 1du2 n ARG 53 Ca -0.29 -1.25 0.26 0.00 -0.92 0.00 0.00 57.85 55.66 1du2 n ARG 53 Cb 0.79 -1.44 0.45 0.00 0.45 0.00 0.00 32.46 32.70 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 0.49 -0.02 -0.37 -0.14 -0.00 0.50 0.75 120.64 121.84 1du2 n GLU 54 Ca 0.17 0.83 -0.02 0.00 -0.00 0.00 0.00 57.16 58.15 1du2 n GLU 54 Cb 0.39 -1.64 0.03 0.00 -0.00 0.00 0.00 31.44 30.22 1du2 n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1du2 n ARG 55 N -4.02 -0.24 -3.65 3.44 1.74 -1.26 -2.10 116.66 110.56 1du2 n ARG 55 Ca 0.27 1.47 -0.36 0.00 -0.77 0.00 0.00 57.85 58.46 1du2 n ARG 55 Cb 1.03 -2.17 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 1du2 n ARG 55 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1du2 s LEU 56 N -10.77 5.51 0.40 0.55 1.98 0.23 -4.86 118.68 111.72 1du2 s LEU 56 Ca -0.13 -3.74 0.09 0.00 -2.89 0.00 0.00 54.13 47.46 1du2 s LEU 56 Cb 0.19 -1.89 0.85 0.00 0.66 0.00 0.00 46.19 45.99 1du2 s LEU 56 CO 0.67 -0.17 1.97 -0.29 -1.89 0.00 0.00 176.35 176.64 1du2 h ILE 57 N 4.07 1.14 -1.05 6.68 2.10 -1.57 -3.42 117.51 125.46 1du2 h ILE 57 Ca 0.16 -0.54 -0.70 0.00 1.08 0.00 0.00 64.86 64.86 1du2 h ILE 57 Cb 0.81 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1du2 h ILE 57 CO 0.85 0.18 1.28 0.00 -1.08 0.00 0.00 178.15 179.39 1du2 n ALA 58 N -2.49 0.68 0.00 0.18 0.00 -1.26 -4.76 120.51 112.86 1du2 n ALA 58 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1du2 n ALA 58 Cb 0.19 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 8.45 0.00 -3.43 0.00 -0.00 -1.26 -5.11 115.22 113.86 1du2 n HIS 59 Ca 0.40 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.88 1du2 n HIS 59 Cb 0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.05 1du2 n HIS 59 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1du2 s ARG 60 N -1.38 0.50 0.42 -0.41 1.70 -1.26 -5.13 118.95 113.39 1du2 s ARG 60 Ca 0.00 -0.94 0.03 0.00 -0.47 0.00 0.00 55.73 54.36 1du2 s ARG 60 Cb 0.00 -1.02 0.03 0.00 -0.57 0.00 0.00 34.95 33.39 1du2 s ARG 60 CO 0.00 -1.16 0.29 1.28 -1.08 0.00 0.00 175.30 174.63 1du2 n LEU 61 N 4.41 0.00 -2.22 -1.89 4.32 -1.26 -4.95 117.00 115.41 1du2 n LEU 61 Ca 0.08 -2.23 -0.01 0.00 -0.02 0.00 0.00 56.01 53.83 1du2 n LEU 61 Cb 0.41 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1du2 n LEU 61 CO 0.09 -0.50 -0.23 0.00 -1.22 0.00 0.00 177.39 175.54 1du2 n ALA 62 N -2.09 -3.24 -2.68 -1.18 0.00 -1.26 -5.03 120.51 105.04 1du2 n ALA 62 Ca -0.14 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 1du2 n ALA 62 Cb 0.48 -0.89 0.08 0.00 0.00 0.00 0.00 19.45 19.12 1du2 n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1du2 n SER 63 N 0.26 -1.56 0.00 0.00 3.41 -1.26 -5.01 113.62 109.46 1du2 n SER 63 Ca 0.01 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1du2 n SER 63 Cb 0.05 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1du2 n VAL 64 N -0.70 0.00 -0.36 -3.33 0.31 -1.26 -4.87 118.33 108.13 1du2 n VAL 64 Ca -0.11 0.00 0.33 0.00 -0.01 0.00 0.00 64.34 64.55 1du2 n VAL 64 Cb 0.79 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 34.32 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 0.31 -6.52 4.52 -0.73 -1.96 -3.44 115.58 107.75 1du2 h ASN 65 Ca 0.00 0.23 -0.43 0.00 1.87 0.00 0.00 56.30 57.97 1du2 h ASN 65 Cb 0.00 0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.83 1du2 h ASN 65 CO 0.00 -0.38 -1.01 0.00 -0.37 0.00 0.00 177.43 175.67 1du2 n LEU 66 N -5.12 -1.67 0.00 0.34 -0.00 -1.26 -4.87 117.00 104.42 1du2 n LEU 66 Ca 0.38 -0.79 -0.11 0.00 -0.00 0.00 0.00 56.01 55.49 1du2 n LEU 66 Cb 1.33 -1.42 0.11 0.00 -0.00 0.00 0.00 43.42 43.45 1du2 n LEU 66 CO 0.06 0.33 0.13 -1.20 -0.00 0.00 0.00 177.39 176.70 1du2 n SER 67 N -2.01 -2.52 -4.70 1.45 7.64 -1.26 -4.93 113.62 107.28 1du2 n SER 67 Ca -0.27 -0.33 -0.37 0.00 1.01 0.00 0.00 58.87 58.92 1du2 n SER 67 Cb 0.62 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1du2 n SER 67 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1du2 s ARG 68 N -3.11 4.22 -0.97 1.43 3.52 -1.26 -4.95 118.95 117.83 1du2 s ARG 68 Ca 0.25 0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 1du2 s ARG 68 Cb -0.04 -3.48 -0.22 0.00 -1.56 0.00 0.00 34.95 29.65 1du2 s ARG 68 CO 0.21 0.12 2.59 -0.11 -0.81 0.00 0.00 175.30 177.30 1du2 n LEU 69 N 3.96 0.24 -4.76 -0.88 7.94 -1.26 -4.85 117.00 117.39 1du2 n LEU 69 Ca -0.11 0.16 -0.30 0.00 -1.11 0.00 0.00 56.01 54.65 1du2 n LEU 69 Cb 0.52 -0.88 0.23 0.00 0.53 0.00 0.00 43.42 43.81 1du2 n LEU 69 CO 0.40 -0.71 0.76 -2.16 -1.11 0.00 0.00 177.39 174.56 1du2 s PRO 70 N 8.64 -0.57 0.43 1.96 0.04 -1.26 -4.92 135.00 139.31 1du2 s PRO 70 Ca 1.31 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1du2 s PRO 70 Cb -1.21 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1du2 s PRO 70 CO 0.48 -3.23 0.00 0.98 0.04 0.00 0.00 177.00 175.26 1du2 n TYR 71 N -4.36 -3.69 -2.35 0.56 9.36 -1.26 -4.99 117.16 110.43 1du2 n TYR 71 Ca 0.16 1.90 -0.03 0.00 3.32 0.00 0.00 57.90 63.25 1du2 n TYR 71 Cb 0.59 -3.35 0.00 0.00 -0.63 0.00 0.00 39.34 35.95 1du2 n TYR 71 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1du2 n GLU 72 N -4.28 -1.14 -0.65 2.98 0.00 -1.26 -5.05 120.64 111.25 1du2 n GLU 72 Ca -0.02 1.30 -0.13 0.00 0.00 0.00 0.00 57.16 58.31 1du2 n GLU 72 Cb 0.67 -3.98 0.10 0.00 0.00 0.00 0.00 31.44 28.22 1du2 n GLU 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1du2 n PRO 73 N -0.84 -1.25 -0.32 5.31 -0.04 -1.26 -4.92 135.00 131.68 1du2 n PRO 73 Ca 0.04 -0.83 -0.08 0.00 -0.04 0.00 0.00 63.50 62.58 1du2 n PRO 73 Cb 0.37 -0.66 -0.08 0.00 -0.04 0.00 0.00 33.50 33.09 1du2 n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1du2 n LYS 74 N -2.59 -0.34 -2.60 0.54 4.01 -1.26 -4.90 118.16 111.02 1du2 n LYS 74 Ca 0.07 1.33 -0.03 0.00 -0.51 0.00 0.00 58.31 59.16 1du2 n LYS 74 Cb 0.25 -1.96 -0.03 0.00 -0.51 0.00 0.00 35.03 32.79 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1du2 n LEU 75 N -4.77 -6.76 0.00 -0.35 7.94 -1.26 -5.32 117.00 106.49 1du2 n LEU 75 Ca 0.02 1.87 0.00 0.00 -1.11 0.00 0.00 56.01 56.78 1du2 n LEU 75 Cb 0.20 -3.23 0.00 0.00 0.53 0.00 0.00 43.42 40.92 1du2 n LEU 75 CO -0.12 -3.56 0.20 1.17 -1.11 0.00 0.00 177.39 173.96