#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 2.53 1.11 -0.89 1.43 -1.26 -5.12 118.68 116.48 1du2 s LEU 2 Ca 0.00 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 1du2 s LEU 2 Cb 0.00 -1.47 0.19 0.00 0.03 0.00 0.00 46.19 44.94 1du2 s LEU 2 CO 0.00 0.26 0.64 0.29 0.23 0.00 0.00 176.35 177.77 1du2 n LYS 3 N 1.61 -1.77 0.00 1.70 5.02 -1.26 -5.04 118.16 118.43 1du2 n LYS 3 Ca -0.16 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 1du2 n LYS 3 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1du2 n LYS 3 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1du2 n ASN 4 N -3.47 0.00 -4.55 4.39 2.85 -1.26 -5.18 115.26 108.04 1du2 n ASN 4 Ca 0.04 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.25 1du2 n ASN 4 Cb 0.56 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.48 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 2.74 -0.38 1.20 1.02 -1.26 -5.11 118.68 116.89 1du2 s LEU 5 Ca 0.00 -1.20 -0.02 0.00 0.02 0.00 0.00 54.13 52.94 1du2 s LEU 5 Cb 0.00 -1.01 0.19 0.00 0.02 0.00 0.00 46.19 45.39 1du2 s LEU 5 CO 0.00 -0.21 0.92 0.00 0.02 0.00 0.00 176.35 177.08 1du2 s ALA 6 N -2.61 -3.59 0.18 4.21 0.00 -1.26 -5.02 121.76 113.67 1du2 s ALA 6 Ca 0.33 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1du2 s ALA 6 Cb 0.02 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1du2 s ALA 6 CO 0.17 -2.40 0.00 1.17 0.00 0.00 0.00 175.76 174.70 1du2 n LYS 7 N 3.38 0.00 -3.11 0.00 0.00 -1.26 -5.10 118.16 112.07 1du2 n LYS 7 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.37 1du2 n LYS 7 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.65 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 -3.12 -4.65 -2.66 3.14 0.00 -1.26 -4.97 117.00 103.48 1du2 n LEU 8 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 56.01 56.56 1du2 n LEU 8 Cb 0.00 -2.06 0.05 0.00 0.00 0.00 0.00 43.42 41.40 1du2 n LEU 8 CO 0.00 -1.70 0.69 0.47 0.00 0.00 0.00 177.39 176.85 1du2 n ASP 9 N 0.91 -1.14 -0.00 1.96 8.00 -1.26 -4.99 116.55 120.03 1du2 n ASP 9 Ca -0.01 -1.70 0.04 0.00 0.71 0.00 0.00 54.79 53.84 1du2 n ASP 9 Cb 0.41 1.06 -0.07 0.00 -0.02 0.00 0.00 41.12 42.50 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1du2 n GLN 10 N -0.00 0.67 0.25 -1.24 -0.06 -1.26 -4.49 117.38 111.24 1du2 n GLN 10 Ca -0.17 -0.07 0.09 0.00 -2.00 0.00 0.00 57.00 54.84 1du2 n GLN 10 Cb 0.70 -1.17 0.63 0.00 -4.06 0.00 0.00 30.24 26.34 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1du2 h THR 11 N 0.00 0.90 -0.00 1.69 2.02 -1.94 1.00 112.91 116.58 1du2 h THR 11 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1du2 h THR 11 Cb 0.38 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1du2 h THR 11 CO 0.00 0.11 -0.01 1.21 0.37 0.00 0.00 175.52 177.20 1du2 n GLU 12 N -4.14 0.06 0.12 6.66 2.13 -1.26 -3.30 120.64 120.91 1du2 n GLU 12 Ca -0.02 -0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.59 1du2 n GLU 12 Cb 0.19 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.26 1du2 n GLU 12 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1du2 h MET 13 N 0.00 0.40 -0.34 5.31 4.05 -1.05 -0.27 114.93 123.04 1du2 h MET 13 Ca 0.00 -0.69 -0.07 0.00 -0.28 0.00 0.00 59.70 58.66 1du2 h MET 13 Cb 0.47 0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 1du2 h MET 13 CO 0.00 1.33 -0.07 0.22 0.23 0.00 0.00 176.91 178.61 1du2 h ASP 14 N 0.11 0.54 0.09 1.39 3.58 -1.53 -2.32 116.42 118.28 1du2 h ASP 14 Ca -0.21 -0.13 -0.13 0.00 0.42 0.00 0.00 57.03 56.99 1du2 h ASP 14 Cb 2.08 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 43.00 1du2 h ASP 14 CO 0.24 0.66 -0.55 0.11 -2.88 0.00 0.00 179.24 176.82 1du2 h LYS 15 N 0.52 0.21 -1.22 0.28 6.56 -1.63 -3.19 116.57 118.10 1du2 h LYS 15 Ca 0.10 -0.35 0.35 0.00 -1.06 0.00 0.00 60.65 59.69 1du2 h LYS 15 Cb 0.45 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 32.16 1du2 h LYS 15 CO 0.02 1.16 0.85 0.28 -2.06 0.00 0.00 179.45 179.69 1du2 h VAL 16 N -0.55 0.37 0.17 0.50 2.07 -0.88 1.04 116.25 118.97 1du2 h VAL 16 Ca -0.09 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1du2 h VAL 16 Cb 1.42 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1du2 h VAL 16 CO 0.10 0.02 -0.08 -1.13 0.02 0.00 0.00 177.57 176.51 1du2 h ASN 17 N 0.12 -0.19 0.00 0.57 -0.00 -1.44 -2.98 115.58 111.66 1du2 h ASN 17 Ca 0.63 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.94 1du2 h ASN 17 Cb 2.20 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 40.57 1du2 h ASN 17 CO -0.14 -0.08 0.21 0.58 -0.00 0.00 0.00 177.43 178.00 1du2 h VAL 18 N -0.34 0.00 -0.92 2.57 2.07 -1.17 -2.44 116.25 116.02 1du2 h VAL 18 Ca -0.02 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.67 1du2 h VAL 18 Cb 0.17 0.64 -0.16 0.00 -1.52 0.00 0.00 31.29 30.42 1du2 h VAL 18 CO 0.04 0.00 -0.28 -0.67 0.02 0.00 0.00 177.57 176.68 1du2 n ASP 19 N -2.69 -0.43 -0.15 0.57 2.03 0.35 0.21 116.55 116.43 1du2 n ASP 19 Ca -0.02 1.59 -0.03 0.00 0.52 0.00 0.00 54.79 56.86 1du2 n ASP 19 Cb 0.26 -0.44 0.05 0.00 -0.72 0.00 0.00 41.12 40.27 1du2 n ASP 19 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1du2 h LEU 20 N 0.00 -0.25 0.00 -2.67 4.07 -1.60 -3.33 115.31 111.53 1du2 h LEU 20 Ca 0.40 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.48 1du2 h LEU 20 Cb 0.63 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1du2 h LEU 20 CO -0.94 -0.09 0.00 0.00 -1.08 0.00 0.00 178.44 176.34 1du2 n ALA 21 N -2.69 0.00 -0.54 1.53 0.00 0.56 -5.06 120.51 114.32 1du2 n ALA 21 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.55 1du2 n ALA 21 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.89 -1.42 -4.06 0.00 0.00 0.11 -5.05 120.51 107.20 1du2 n ALA 22 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 1du2 n ALA 22 Cb 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.87 0.04 -1.00 0.00 0.00 -1.26 -5.08 120.51 110.35 1du2 n ALA 23 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1du2 n ALA 23 Cb 0.26 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 4.42 -0.96 0.00 0.00 0.00 -1.26 -4.44 105.19 102.96 1du2 n GLY 24 Ca -0.02 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.58 0.00 -0.43 1.61 0.31 -1.26 -4.43 118.33 113.55 1du2 n VAL 25 Ca 0.00 -0.25 0.36 0.00 -0.01 0.00 0.00 64.34 64.44 1du2 n VAL 25 Cb 0.00 0.60 0.59 0.00 -0.91 0.00 0.00 33.84 34.12 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 -1.66 1.22 -0.01 3.52 0.00 -1.26 0.25 120.51 122.57 1du2 n ALA 26 Ca 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 53.44 54.05 1du2 n ALA 26 Cb 0.29 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 1du2 n ALA 26 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1du2 h PHE 27 N 0.00 -0.04 0.00 0.00 -1.00 -2.00 -3.42 116.94 110.48 1du2 h PHE 27 Ca 0.75 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.54 1du2 h PHE 27 Cb 2.51 0.04 0.00 0.00 3.61 0.00 0.00 35.95 42.11 1du2 h PHE 27 CO -0.00 -0.04 0.00 1.17 -1.61 0.00 0.00 178.31 177.83 1du2 n LYS 28 N -5.14 -0.12 0.00 1.51 3.00 0.68 -4.73 118.16 113.36 1du2 n LYS 28 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1du2 n LYS 28 Cb 0.08 -3.04 0.00 0.00 0.00 0.00 0.00 35.03 32.07 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 -2.07 6.15 -1.14 1.64 0.28 -1.26 -4.60 120.64 119.65 1du2 n GLU 29 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1du2 n GLU 29 Cb 0.03 -0.51 -0.15 0.00 1.43 0.00 0.00 31.44 32.24 1du2 n GLU 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1du2 n ARG 30 N -0.98 0.00 -3.45 3.44 5.12 -1.26 0.11 116.66 119.64 1du2 n ARG 30 Ca 0.00 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.72 1du2 n ARG 30 Cb 0.00 -0.94 -0.04 0.00 -1.16 0.00 0.00 32.46 30.33 1du2 n ARG 30 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1du2 n TYR 31 N 5.94 -1.61 -2.91 -1.55 4.11 -1.26 0.61 117.16 120.49 1du2 n TYR 31 Ca 0.51 0.33 -0.12 0.00 -0.00 0.00 0.00 57.90 58.62 1du2 n TYR 31 Cb 0.07 -1.52 0.06 0.00 -0.00 0.00 0.00 39.34 37.94 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 -1.98 -4.83 -4.75 9.48 2.85 0.30 -4.97 115.26 111.36 1du2 n ASN 32 Ca 0.05 -0.53 -0.40 0.00 -0.11 0.00 0.00 54.58 53.59 1du2 n ASN 32 Cb 0.48 -4.14 -0.06 0.00 1.24 0.00 0.00 39.78 37.31 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 -4.29 4.78 0.46 1.20 -2.45 0.20 -5.05 119.30 114.15 1du2 s MET 33 Ca 0.28 1.57 -0.08 0.00 -1.25 0.00 0.00 55.69 56.21 1du2 s MET 33 Cb -0.04 -3.23 0.11 0.00 1.25 0.00 0.00 34.83 32.92 1du2 s MET 33 CO 0.57 0.42 0.50 -0.35 1.05 0.00 0.00 175.02 177.22 1du2 n PRO 34 N 1.36 -1.20 -0.58 4.11 -0.04 -1.26 -4.81 135.00 132.58 1du2 n PRO 34 Ca -0.02 -0.79 -0.15 0.00 -0.04 0.00 0.00 63.50 62.50 1du2 n PRO 34 Cb 0.47 -0.62 -0.03 0.00 -0.04 0.00 0.00 33.50 33.27 1du2 n PRO 34 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1du2 n VAL 35 N -3.12 1.89 -3.85 0.52 0.24 -1.26 -4.70 118.33 108.05 1du2 n VAL 35 Ca 0.07 -1.09 -0.10 0.00 -2.04 0.00 0.00 64.34 61.17 1du2 n VAL 35 Cb 0.24 -1.96 -0.08 0.00 -1.47 0.00 0.00 33.84 30.57 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1du2 s ILE 36 N 3.30 0.11 -0.01 1.34 1.01 -1.26 -5.04 121.20 120.66 1du2 s ILE 36 Ca 0.32 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1du2 s ILE 36 Cb 0.10 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1du2 s ILE 36 CO -0.02 -0.51 0.07 0.00 0.00 0.00 0.00 174.94 174.47 1du2 n ALA 37 N 0.63 2.12 0.70 9.38 0.00 -1.26 -4.35 120.51 127.72 1du2 n ALA 37 Ca -0.19 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.30 1du2 n ALA 37 Cb 0.59 -0.10 0.48 0.00 0.00 0.00 0.00 19.45 20.42 1du2 n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1du2 n GLU 38 N -1.58 0.11 -0.01 0.00 2.13 -1.26 -2.53 120.64 117.50 1du2 n GLU 38 Ca -0.01 0.18 0.10 0.00 0.66 0.00 0.00 57.16 58.09 1du2 n GLU 38 Cb 0.08 -1.65 -0.15 0.00 0.27 0.00 0.00 31.44 29.99 1du2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1du2 n ALA 39 N -1.63 3.11 0.18 4.31 0.00 -1.26 -3.15 120.51 122.08 1du2 n ALA 39 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.02 1du2 n ALA 39 Cb 0.32 -0.69 0.35 0.00 0.00 0.00 0.00 19.45 19.43 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 1.26 0.03 0.00 2.07 -1.69 0.16 116.25 118.08 1du2 h VAL 40 Ca 0.00 -1.32 -0.37 0.00 0.82 0.00 0.00 66.70 65.84 1du2 h VAL 40 Cb 0.82 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 1du2 h VAL 40 CO 0.00 0.37 -2.25 -0.62 0.02 0.00 0.00 177.57 175.10 1du2 n GLU 41 N -4.07 0.68 0.08 1.57 4.71 -1.23 -1.33 120.64 121.06 1du2 n GLU 41 Ca -0.02 0.16 -0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1du2 n GLU 41 Cb 0.42 -1.60 0.30 0.00 -1.01 0.00 0.00 31.44 29.54 1du2 n GLU 41 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 1du2 h ARG 42 N 0.02 0.31 0.00 3.49 0.11 -1.49 -3.37 114.38 113.45 1du2 h ARG 42 Ca -0.50 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.48 1du2 h ARG 42 Cb 2.02 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 33.08 1du2 h ARG 42 CO 0.00 0.52 0.00 0.39 0.10 0.00 0.00 179.97 180.98 1du2 n GLU 43 N -4.17 0.00 -3.16 0.08 -0.58 0.54 -5.00 120.64 108.35 1du2 n GLU 43 Ca -0.01 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.76 1du2 n GLU 43 Cb 0.35 -0.35 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 0.55 0.21 3.49 -0.44 -1.19 -5.07 119.66 117.21 1du2 s GLN 44 Ca 0.00 0.52 -0.30 0.00 -2.50 0.00 0.00 55.36 53.08 1du2 s GLN 44 Cb 0.00 0.21 -0.08 0.00 -1.64 0.00 0.00 33.01 31.50 1du2 s GLN 44 CO 0.00 -1.05 1.11 -1.25 0.50 0.00 0.00 175.29 174.60 1du2 s PRO 45 N 2.81 4.60 0.13 1.67 0.04 -0.44 -4.77 135.00 139.03 1du2 s PRO 45 Ca 0.10 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1du2 s PRO 45 Cb -0.10 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1du2 s PRO 45 CO -0.26 0.11 1.67 1.49 0.04 0.00 0.00 177.00 180.05 1du2 h GLU 46 N 4.71 -0.22 -0.31 4.56 4.22 -1.82 0.21 114.58 125.94 1du2 h GLU 46 Ca -0.45 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.09 1du2 h GLU 46 Cb 1.21 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1du2 h GLU 46 CO 0.71 -0.14 0.69 1.12 -2.18 0.00 0.00 179.01 179.20 1du2 h HIS 47 N -0.22 0.00 0.00 0.92 2.07 -1.91 1.09 115.15 117.09 1du2 h HIS 47 Ca 0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1du2 h HIS 47 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 1du2 h HIS 47 CO -0.25 0.00 -0.09 -0.07 -3.07 0.00 0.00 177.93 174.45 1du2 h LEU 48 N 0.00 0.00 -1.68 6.12 -0.00 -1.02 -2.55 115.31 116.18 1du2 h LEU 48 Ca 0.15 0.00 0.25 0.00 -0.00 0.00 0.00 57.88 58.28 1du2 h LEU 48 Cb 1.52 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.12 1du2 h LEU 48 CO -0.00 0.22 0.66 0.08 -0.00 0.00 0.00 178.44 179.40 1du2 h ARG 49 N -0.35 0.23 -0.11 1.13 -0.00 0.02 1.04 114.38 116.33 1du2 h ARG 49 Ca 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.98 59.87 1du2 h ARG 49 Cb 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 30.01 1du2 h ARG 49 CO 0.00 0.15 -0.30 1.03 -0.00 0.00 0.00 179.97 180.85 1du2 h SER 50 N 0.23 0.45 0.49 0.08 0.87 0.10 1.24 113.55 117.01 1du2 h SER 50 Ca 0.50 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1du2 h SER 50 Cb 1.54 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1du2 h SER 50 CO -0.14 0.97 0.00 0.79 -0.53 0.00 0.00 176.83 177.92 1du2 n TRP 51 N -4.42 0.00 -0.12 2.24 5.03 0.68 0.05 117.44 120.90 1du2 n TRP 51 Ca -0.07 0.00 -0.19 0.00 3.03 0.00 0.00 57.50 60.27 1du2 n TRP 51 Cb 0.48 -0.31 -0.11 0.00 -1.03 0.00 0.00 31.31 30.34 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 -1.31 0.00 1.28 -5.99 3.01 0.33 -4.41 117.46 110.37 1du2 n PHE 52 Ca 0.10 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.70 1du2 n PHE 52 Cb 0.20 -0.91 0.43 0.00 -0.01 0.00 0.00 39.48 39.18 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 -3.42 0.85 -0.32 -1.08 0.63 0.42 -4.18 116.66 109.56 1du2 n ARG 53 Ca -0.44 -0.47 0.29 0.00 -0.92 0.00 0.00 57.85 56.31 1du2 n ARG 53 Cb 0.93 -1.49 0.54 0.00 0.45 0.00 0.00 32.46 32.89 1du2 n ARG 53 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1du2 h GLU 54 N 1.13 0.10 -1.22 -0.14 4.11 -0.55 1.54 114.58 119.55 1du2 h GLU 54 Ca 0.00 -0.01 0.36 0.00 0.07 0.00 0.00 59.36 59.78 1du2 h GLU 54 Cb 0.48 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 1du2 h GLU 54 CO 0.00 0.07 0.81 0.00 0.07 0.00 0.00 179.01 179.96 1du2 h ARG 55 N 0.10 0.18 0.00 1.06 3.08 -1.85 0.18 114.38 117.14 1du2 h ARG 55 Ca 0.80 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.84 1du2 h ARG 55 Cb 2.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.04 1du2 h ARG 55 CO -0.72 0.12 0.00 -0.11 -1.07 0.00 0.00 179.97 178.19 1du2 n LEU 56 N -4.52 0.00 -0.34 3.04 7.94 0.50 -4.72 117.00 118.90 1du2 n LEU 56 Ca 0.30 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.33 1du2 n LEU 56 Cb 1.21 -0.12 0.24 0.00 0.53 0.00 0.00 43.42 45.28 1du2 n LEU 56 CO 0.28 -0.30 0.73 0.00 -1.11 0.00 0.00 177.39 176.99 1du2 n ILE 57 N -1.99 -0.40 -4.00 1.96 0.13 0.56 -4.77 119.36 110.84 1du2 n ILE 57 Ca 0.00 2.13 -0.41 0.00 -1.10 0.00 0.00 62.75 63.38 1du2 n ILE 57 Cb 0.00 -3.07 0.01 0.00 -0.84 0.00 0.00 39.64 35.74 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 -3.30 -2.63 -3.26 1.51 0.00 0.62 -2.51 120.51 110.95 1du2 n ALA 58 Ca 0.21 -0.51 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1du2 n ALA 58 Cb 0.67 -1.99 0.02 0.00 0.00 0.00 0.00 19.45 18.15 1du2 n ALA 58 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1du2 n HIS 59 N -4.35 -1.25 0.09 0.00 -0.00 -1.26 -4.85 115.22 103.60 1du2 n HIS 59 Ca -0.16 0.53 -0.07 0.00 0.46 0.00 0.00 57.72 58.47 1du2 n HIS 59 Cb 0.58 -1.31 0.00 0.00 -0.12 0.00 0.00 29.99 29.14 1du2 n HIS 59 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1du2 h ARG 60 N 2.79 0.13 0.00 1.57 0.11 -1.86 -3.49 114.38 113.63 1du2 h ARG 60 Ca -0.27 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1du2 h ARG 60 Cb 1.16 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1du2 h ARG 60 CO 0.11 0.91 0.00 1.47 0.10 0.00 0.00 179.97 182.55 1du2 n LEU 61 N -3.63 0.00 0.22 0.08 -0.00 -1.26 -5.03 117.00 107.37 1du2 n LEU 61 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.88 1du2 n LEU 61 Cb 0.80 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.17 1du2 n LEU 61 CO 0.47 0.00 0.27 0.00 -0.00 0.00 0.00 177.39 178.12 1du2 h ALA 62 N 0.00 -0.62 0.00 1.47 0.00 -1.91 -3.46 119.26 114.73 1du2 h ALA 62 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1du2 h ALA 62 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1du2 h ALA 62 CO 0.00 -0.58 0.00 0.45 0.00 0.00 0.00 179.25 179.12 1du2 n SER 63 N -5.19 0.00 0.00 0.00 2.88 -1.26 -4.57 113.62 105.48 1du2 n SER 63 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1du2 n SER 63 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.00 0.00 0.00 2.46 0.31 -1.26 -5.06 118.33 114.78 1du2 n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1du2 n VAL 64 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1du2 n VAL 64 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1du2 n ASN 65 N 0.00 0.00 -4.00 4.52 2.85 -1.26 -5.00 115.26 112.36 1du2 n ASN 65 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 1du2 n ASN 65 Cb 0.00 -0.44 0.02 0.00 1.24 0.00 0.00 39.78 40.60 1du2 n ASN 65 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1du2 n LEU 66 N -2.41 -0.69 -5.00 1.20 0.00 -1.26 -4.92 117.00 103.92 1du2 n LEU 66 Ca 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 56.01 54.57 1du2 n LEU 66 Cb 0.00 -1.66 0.08 0.00 0.00 0.00 0.00 43.42 41.84 1du2 n LEU 66 CO 0.00 0.71 0.45 -0.94 0.00 0.00 0.00 177.39 177.62 1du2 s SER 67 N -3.41 4.75 -0.30 1.96 1.04 -1.26 -4.93 113.70 111.55 1du2 s SER 67 Ca 0.39 -0.37 -0.17 0.00 0.48 0.00 0.00 55.95 56.28 1du2 s SER 67 Cb -0.21 -0.18 0.18 0.00 0.10 0.00 0.00 66.02 65.90 1du2 s SER 67 CO 0.95 -1.56 1.18 -0.60 0.98 0.00 0.00 173.24 174.19 1du2 s ARG 68 N -4.94 0.10 -0.14 4.02 3.52 -1.26 -5.00 118.95 115.25 1du2 s ARG 68 Ca 0.63 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 56.41 1du2 s ARG 68 Cb -0.07 0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.50 1du2 s ARG 68 CO 0.41 -0.08 0.06 -1.17 -0.81 0.00 0.00 175.30 173.72 1du2 s LEU 69 N 2.60 0.51 0.55 -0.88 1.98 -1.26 -5.14 118.68 117.04 1du2 s LEU 69 Ca -0.03 -0.47 -0.17 0.00 -2.89 0.00 0.00 54.13 50.56 1du2 s LEU 69 Cb -0.06 -0.32 -0.06 0.00 0.66 0.00 0.00 46.19 46.41 1du2 s LEU 69 CO -0.12 -0.30 1.04 -2.16 -1.89 0.00 0.00 176.35 172.92 1du2 s PRO 70 N 2.07 3.54 0.32 0.98 0.04 -1.26 -5.07 135.00 135.62 1du2 s PRO 70 Ca 0.02 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.35 1du2 s PRO 70 Cb -0.15 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1du2 s PRO 70 CO -0.07 -0.63 -0.00 1.52 0.04 0.00 0.00 177.00 177.86 1du2 s TYR 71 N -2.31 2.06 -0.30 0.56 1.13 -1.26 -5.13 117.35 112.10 1du2 s TYR 71 Ca 0.64 -0.79 -0.10 0.00 -1.41 0.00 0.00 57.07 55.42 1du2 s TYR 71 Cb -0.16 -1.30 0.19 0.00 -1.10 0.00 0.00 41.96 39.59 1du2 s TYR 71 CO 0.31 0.21 0.99 -1.83 -2.51 0.00 0.00 175.55 172.72 1du2 s GLU 72 N -3.79 0.20 -0.44 -3.49 -1.05 -1.26 -5.12 118.70 103.75 1du2 s GLU 72 Ca 0.33 0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 55.09 1du2 s GLU 72 Cb 0.07 0.11 0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1du2 s GLU 72 CO 0.14 -0.34 1.43 -1.25 0.95 0.00 0.00 175.26 176.19 1du2 s PRO 73 N 2.94 3.51 0.16 -4.83 0.04 -1.26 -4.90 135.00 130.66 1du2 s PRO 73 Ca 0.21 0.86 -0.27 0.00 0.04 0.00 0.00 61.00 61.83 1du2 s PRO 73 Cb -0.04 -4.05 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 1du2 s PRO 73 CO -0.21 -1.66 1.47 1.17 0.04 0.00 0.00 177.00 177.81 1du2 n LYS 74 N 8.20 -0.38 -2.69 4.56 4.81 -1.26 -4.90 118.16 126.50 1du2 n LYS 74 Ca 0.16 1.44 -0.04 0.00 -0.87 0.00 0.00 58.31 59.01 1du2 n LYS 74 Cb 0.48 -2.13 -0.03 0.00 0.02 0.00 0.00 35.03 33.37 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1du2 n LEU 75 N -5.23 -6.46 0.00 3.14 7.94 -1.26 -5.36 117.00 109.77 1du2 n LEU 75 Ca 0.03 1.94 0.00 0.00 -1.11 0.00 0.00 56.01 56.87 1du2 n LEU 75 Cb 0.27 -3.13 0.00 0.00 0.53 0.00 0.00 43.42 41.10 1du2 n LEU 75 CO -0.15 -3.69 0.00 1.17 -1.11 0.00 0.00 177.39 173.61