#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 0.71 -0.44 -0.89 1.43 -1.26 -5.12 118.68 113.11 1du2 s LEU 2 Ca 0.00 -1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 51.72 1du2 s LEU 2 Cb 0.00 1.63 0.08 0.00 0.03 0.00 0.00 46.19 47.93 1du2 s LEU 2 CO 0.00 -1.26 0.30 -0.54 0.23 0.00 0.00 176.35 175.08 1du2 s LYS 3 N -3.34 2.67 0.58 1.70 -0.14 -1.26 -5.07 119.74 114.88 1du2 s LYS 3 Ca 0.27 -1.48 -0.19 0.00 -1.36 0.00 0.00 55.97 53.21 1du2 s LYS 3 Cb -0.01 -3.88 -0.04 0.00 -1.68 0.00 0.00 37.83 32.23 1du2 s LYS 3 CO 0.16 -1.00 1.22 -0.80 -0.76 0.00 0.00 175.35 174.17 1du2 s ASN 4 N 2.30 5.27 1.00 2.83 -0.87 -1.26 -4.93 114.94 119.28 1du2 s ASN 4 Ca 0.03 2.44 -0.19 0.00 -1.57 0.00 0.00 52.86 53.57 1du2 s ASN 4 Cb -0.24 -2.60 -0.12 0.00 -0.02 0.00 0.00 41.25 38.27 1du2 s ASN 4 CO 0.03 -1.54 -0.75 0.18 -2.57 0.00 0.00 177.10 172.44 1du2 n LEU 5 N -1.43 -4.48 0.12 0.60 4.77 -1.26 -4.96 117.00 110.37 1du2 n LEU 5 Ca 0.13 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1du2 n LEU 5 Cb 0.49 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1du2 n LEU 5 CO 0.46 -4.88 -0.00 0.00 -1.33 0.00 0.00 177.39 171.63 1du2 n ALA 6 N -2.94 3.00 0.00 -1.18 0.00 -1.26 -5.08 120.51 113.05 1du2 n ALA 6 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1du2 n ALA 6 Cb 0.60 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1du2 n ALA 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1du2 n LYS 7 N -3.48 0.00 -1.43 0.00 4.81 -1.26 -5.07 118.16 111.73 1du2 n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1du2 n LYS 7 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1du2 n LYS 7 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1du2 n LEU 8 N -2.11 -1.91 0.00 3.14 -0.00 -1.26 -5.02 117.00 109.83 1du2 n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1du2 n LEU 8 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 1du2 n LEU 8 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 177.39 176.49 1du2 n ASP 9 N -0.85 0.00 -0.19 1.96 5.68 -1.26 -5.04 116.55 116.85 1du2 n ASP 9 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 1du2 n ASP 9 Cb 0.37 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.43 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1du2 n GLN 10 N 0.00 2.56 0.03 0.11 7.27 -1.26 -4.62 117.38 121.47 1du2 n GLN 10 Ca 0.00 -1.96 -0.10 0.00 0.07 0.00 0.00 57.00 55.02 1du2 n GLN 10 Cb 0.00 -1.23 0.05 0.00 2.41 0.00 0.00 30.24 31.47 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 0.47 1.34 0.00 1.69 2.02 -1.97 -2.83 112.91 113.63 1du2 h THR 11 Ca 0.00 -1.93 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 1du2 h THR 11 Cb 0.73 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1du2 h THR 11 CO 0.02 0.59 -0.04 -0.08 0.37 0.00 0.00 175.52 176.38 1du2 h GLU 12 N 0.36 0.00 -0.49 6.66 4.81 -1.97 -1.26 114.58 122.69 1du2 h GLU 12 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1du2 h GLU 12 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1du2 h GLU 12 CO 0.11 0.04 0.18 0.52 -0.73 0.00 0.00 179.01 179.14 1du2 h MET 13 N 0.00 0.70 0.00 1.92 2.86 -1.82 1.05 114.93 119.64 1du2 h MET 13 Ca -0.00 -0.10 -0.19 0.00 -2.06 0.00 0.00 59.70 57.35 1du2 h MET 13 Cb 0.11 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1du2 h MET 13 CO 0.01 0.59 -0.90 0.22 1.06 0.00 0.00 176.91 177.88 1du2 h ASP 14 N 0.70 0.00 0.22 1.22 1.82 -1.35 -3.14 116.42 115.88 1du2 h ASP 14 Ca 0.17 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.53 1du2 h ASP 14 Cb 0.16 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.19 1du2 h ASP 14 CO -0.01 0.90 -1.14 0.11 -1.61 0.00 0.00 179.24 177.49 1du2 h LYS 15 N 0.00 0.55 0.00 0.28 6.56 -0.98 -1.51 116.57 121.47 1du2 h LYS 15 Ca -0.01 -0.68 0.00 0.00 -1.06 0.00 0.00 60.65 58.90 1du2 h LYS 15 Cb 1.63 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 33.50 1du2 h LYS 15 CO 0.12 1.29 0.00 1.55 -2.06 0.00 0.00 179.45 180.34 1du2 n VAL 16 N -3.76 1.35 -0.10 0.50 3.14 0.35 -0.58 118.33 119.23 1du2 n VAL 16 Ca -0.11 0.44 -0.14 0.00 -2.96 0.00 0.00 64.34 61.57 1du2 n VAL 16 Cb 0.94 -1.36 -0.05 0.00 -1.06 0.00 0.00 33.84 32.31 1du2 n VAL 16 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1du2 n ASN 17 N -1.77 1.92 0.21 6.55 5.15 -1.11 -4.24 115.26 121.95 1du2 n ASN 17 Ca 0.01 0.39 0.12 0.00 -0.60 0.00 0.00 54.58 54.51 1du2 n ASN 17 Cb 0.09 -0.80 0.67 0.00 -0.53 0.00 0.00 39.78 39.21 1du2 n ASN 17 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1du2 h VAL 18 N -1.00 0.00 0.00 3.44 2.07 -1.07 0.82 116.25 120.52 1du2 h VAL 18 Ca -0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1du2 h VAL 18 Cb 1.08 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1du2 h VAL 18 CO -0.11 0.00 0.08 -0.78 0.02 0.00 0.00 177.57 176.77 1du2 h ASP 19 N 0.00 0.00 -0.02 0.57 3.58 -1.02 1.31 116.42 120.85 1du2 h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1du2 h ASP 19 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1du2 h ASP 19 CO 0.00 0.00 -0.43 -0.11 -2.88 0.00 0.00 179.24 175.82 1du2 n LEU 20 N -2.52 2.13 0.00 2.28 -0.00 0.28 -4.73 117.00 114.45 1du2 n LEU 20 Ca -0.02 -0.78 0.00 0.00 -0.00 0.00 0.00 56.01 55.21 1du2 n LEU 20 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 1du2 n LEU 20 CO 0.12 0.39 0.00 0.00 -0.00 0.00 0.00 177.39 177.90 1du2 n ALA 21 N 0.12 0.00 -2.73 1.96 0.00 0.45 -4.82 120.51 115.50 1du2 n ALA 21 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1du2 n ALA 21 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.00 -2.46 -0.03 0.00 0.00 -1.26 -5.14 120.51 108.62 1du2 n ALA 22 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1du2 n ALA 22 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 2.45 0.00 -3.11 0.00 0.00 -1.26 -4.41 120.51 114.18 1du2 n ALA 23 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 1du2 n ALA 23 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 2.55 0.07 0.00 0.00 -1.26 -4.84 105.19 101.71 1du2 n GLY 24 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 1.12 0.00 0.00 1.61 0.31 -1.26 -4.41 118.33 115.70 1du2 n VAL 25 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1du2 n VAL 25 Cb 0.58 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 -2.50 -0.22 -1.66 3.52 0.00 -1.26 -2.47 120.51 115.93 1du2 n ALA 26 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1du2 n ALA 26 Cb 0.48 0.24 0.03 0.00 0.00 0.00 0.00 19.45 20.20 1du2 n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1du2 n PHE 27 N -2.31 2.65 -0.47 0.00 -0.00 -1.26 -4.01 117.46 112.06 1du2 n PHE 27 Ca 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 57.45 55.10 1du2 n PHE 27 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 39.48 38.21 1du2 n PHE 27 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1du2 n LYS 28 N -0.26 0.50 0.00 -4.13 3.00 -1.03 -4.69 118.16 111.55 1du2 n LYS 28 Ca 0.53 -0.64 0.10 0.00 -0.00 0.00 0.00 58.31 58.30 1du2 n LYS 28 Cb 0.40 -0.76 0.57 0.00 0.00 0.00 0.00 35.03 35.23 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 -0.13 0.78 0.25 1.64 0.28 -1.24 -3.55 120.64 118.68 1du2 n GLU 29 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.16 1du2 n GLU 29 Cb 0.24 -1.38 0.72 0.00 1.43 0.00 0.00 31.44 32.45 1du2 n GLU 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1du2 h ARG 30 N 0.00 0.00 -0.43 3.44 2.47 -1.91 1.28 114.38 119.22 1du2 h ARG 30 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1du2 h ARG 30 Cb 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 1du2 h ARG 30 CO 0.00 0.00 0.07 2.48 0.56 0.00 0.00 179.97 183.08 1du2 n TYR 31 N -3.11 1.44 -2.77 3.04 4.11 -1.23 -4.95 117.16 113.69 1du2 n TYR 31 Ca 0.02 -1.23 -0.05 0.00 -0.00 0.00 0.00 57.90 56.63 1du2 n TYR 31 Cb 0.53 -0.49 0.02 0.00 -0.00 0.00 0.00 39.34 39.41 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 -0.66 -6.06 -4.68 9.48 2.85 0.44 -4.96 115.26 111.67 1du2 n ASN 32 Ca 0.31 -0.28 -0.41 0.00 -0.11 0.00 0.00 54.58 54.09 1du2 n ASN 32 Cb 1.09 -4.24 -0.04 0.00 1.24 0.00 0.00 39.78 37.84 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 -3.49 4.35 1.10 1.20 1.75 -1.21 -5.04 119.30 117.95 1du2 s MET 33 Ca 0.16 1.10 -0.18 0.00 -1.25 0.00 0.00 55.69 55.53 1du2 s MET 33 Cb -0.02 -3.55 0.25 0.00 2.84 0.00 0.00 34.83 34.35 1du2 s MET 33 CO 0.57 -0.28 1.23 -1.25 -0.65 0.00 0.00 175.02 174.64 1du2 s PRO 34 N 1.97 -0.42 -0.65 4.11 0.04 -1.26 -4.82 135.00 133.97 1du2 s PRO 34 Ca 0.41 -0.30 -0.04 0.00 0.04 0.00 0.00 61.00 61.11 1du2 s PRO 34 Cb -0.17 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1du2 s PRO 34 CO 0.15 -3.14 1.80 1.33 0.04 0.00 0.00 177.00 177.17 1du2 n VAL 35 N -4.31 1.74 -3.95 -0.36 0.24 -1.26 -4.71 118.33 105.73 1du2 n VAL 35 Ca 0.15 -1.04 -0.09 0.00 -2.04 0.00 0.00 64.34 61.33 1du2 n VAL 35 Cb 0.59 -1.95 -0.08 0.00 -1.47 0.00 0.00 33.84 30.94 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 3.82 0.13 0.00 1.34 1.01 -1.26 -5.05 121.20 121.20 1du2 s ILE 36 Ca 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1du2 s ILE 36 Cb 0.07 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1du2 s ILE 36 CO -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 174.94 174.31 1du2 n ALA 37 N -0.07 1.90 1.40 9.38 0.00 -1.26 -4.56 120.51 127.30 1du2 n ALA 37 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1du2 n ALA 37 Cb 0.62 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.54 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 -1.30 1.71 -0.00 0.00 4.07 -1.26 -3.46 120.64 120.41 1du2 n GLU 38 Ca 0.00 -1.05 0.07 0.00 -0.06 0.00 0.00 57.16 56.13 1du2 n GLU 38 Cb 0.00 -1.46 -0.10 0.00 -0.06 0.00 0.00 31.44 29.82 1du2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1du2 n ALA 39 N 0.27 3.33 0.07 4.31 0.00 -1.26 -3.54 120.51 123.68 1du2 n ALA 39 Ca 0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 1du2 n ALA 39 Cb 0.36 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 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 1.36 0.14 0.00 2.07 -1.80 -2.38 116.25 115.65 1du2 h VAL 40 Ca 0.00 -2.44 -0.32 0.00 0.82 0.00 0.00 66.70 64.76 1du2 h VAL 40 Cb 0.49 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1du2 h VAL 40 CO 0.00 0.73 -1.60 -0.33 0.02 0.00 0.00 177.57 176.40 1du2 h GLU 41 N 0.27 0.31 -0.26 1.57 5.08 -1.76 -1.44 114.58 118.34 1du2 h GLU 41 Ca -0.11 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.70 1du2 h GLU 41 Cb 1.67 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1du2 h GLU 41 CO 0.18 1.19 0.05 0.07 -1.00 0.00 0.00 179.01 179.50 1du2 h ARG 42 N 0.08 0.38 0.00 2.33 0.11 -1.64 -3.36 114.38 112.29 1du2 h ARG 42 Ca -0.28 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1du2 h ARG 42 Cb 2.05 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 33.06 1du2 h ARG 42 CO 0.17 0.37 0.00 0.39 0.10 0.00 0.00 179.97 181.00 1du2 n GLU 43 N -4.37 0.00 -3.15 0.08 -0.58 -0.89 -5.01 120.64 106.71 1du2 n GLU 43 Ca 0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1du2 n GLU 43 Cb 0.17 -0.32 -0.00 0.00 -0.57 0.00 0.00 31.44 30.72 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 0.54 0.11 3.49 0.74 -0.89 -5.08 119.66 118.56 1du2 s GLN 44 Ca 0.00 0.35 -0.30 0.00 0.05 0.00 0.00 55.36 55.45 1du2 s GLN 44 Cb 0.00 0.19 -0.06 0.00 1.10 0.00 0.00 33.01 34.24 1du2 s GLN 44 CO 0.00 -0.95 1.15 -1.25 -0.55 0.00 0.00 175.29 173.69 1du2 s PRO 45 N 2.66 4.50 0.14 1.67 0.04 -0.59 -4.83 135.00 138.59 1du2 s PRO 45 Ca 0.13 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 1du2 s PRO 45 Cb -0.08 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 1du2 s PRO 45 CO -0.22 -0.11 1.79 1.05 0.04 0.00 0.00 177.00 179.54 1du2 h GLU 46 N 6.05 0.44 0.00 4.56 -0.00 -1.86 -0.01 114.58 123.77 1du2 h GLU 46 Ca -0.43 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1du2 h GLU 46 Cb 1.21 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1du2 h GLU 46 CO 0.77 0.31 0.30 1.12 -0.00 0.00 0.00 179.01 181.51 1du2 h HIS 47 N 0.44 0.00 0.00 2.06 2.07 -1.89 0.20 115.15 118.03 1du2 h HIS 47 Ca 0.12 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.63 1du2 h HIS 47 Cb -0.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.95 1du2 h HIS 47 CO -0.05 0.00 -0.37 -0.07 -3.07 0.00 0.00 177.93 174.37 1du2 h LEU 48 N 0.00 0.00 -1.27 6.12 -0.00 -1.42 -2.33 115.31 116.41 1du2 h LEU 48 Ca 0.00 -0.05 0.22 0.00 -0.00 0.00 0.00 57.88 58.05 1du2 h LEU 48 Cb 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.16 1du2 h LEU 48 CO 0.00 0.71 0.63 0.08 -0.00 0.00 0.00 178.44 179.86 1du2 h ARG 49 N -1.00 0.51 -0.02 1.13 0.11 -0.42 1.68 114.38 116.37 1du2 h ARG 49 Ca -0.02 -0.03 -0.26 0.00 0.10 0.00 0.00 59.98 59.77 1du2 h ARG 49 Cb 0.40 -0.12 0.02 0.00 1.11 0.00 0.00 29.97 31.38 1du2 h ARG 49 CO -0.01 0.34 -1.01 1.03 0.10 0.00 0.00 179.97 180.42 1du2 h SER 50 N 0.53 0.91 0.83 0.08 0.87 -0.82 0.84 113.55 116.78 1du2 h SER 50 Ca 0.56 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1du2 h SER 50 Cb 1.20 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1du2 h SER 50 CO -0.30 1.51 0.00 0.79 -0.53 0.00 0.00 176.83 178.31 1du2 n TRP 51 N -3.86 0.14 -0.13 2.24 5.03 0.68 0.19 117.44 121.73 1du2 n TRP 51 Ca -0.10 0.05 -0.19 0.00 3.03 0.00 0.00 57.50 60.29 1du2 n TRP 51 Cb 0.87 -0.58 -0.11 0.00 -1.03 0.00 0.00 31.31 30.46 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 -1.62 0.00 1.09 -5.99 3.01 0.54 -4.43 117.46 110.06 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 0.27 -0.97 0.15 0.00 -0.01 0.00 0.00 39.48 38.93 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 -3.34 1.74 0.00 -1.08 0.63 0.29 -4.74 116.66 110.16 1du2 n ARG 53 Ca -0.45 -1.37 0.00 0.00 -0.92 0.00 0.00 57.85 55.11 1du2 n ARG 53 Cb 0.96 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 32.40 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 0.57 0.00 -1.36 -0.14 0.28 0.51 -4.74 120.64 115.75 1du2 n GLU 54 Ca 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.11 1du2 n GLU 54 Cb 0.50 -0.27 0.00 0.00 1.43 0.00 0.00 31.44 33.11 1du2 n GLU 54 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1du2 n ARG 55 N 0.00 -0.16 -3.05 3.44 0.63 -1.26 -2.58 116.66 113.68 1du2 n ARG 55 Ca 0.00 0.25 -0.08 0.00 -0.92 0.00 0.00 57.85 57.10 1du2 n ARG 55 Cb 0.00 -0.33 0.01 0.00 0.45 0.00 0.00 32.46 32.58 1du2 n ARG 55 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1du2 n LEU 56 N 0.58 -3.05 -0.07 6.15 4.77 -1.26 -4.94 117.00 119.19 1du2 n LEU 56 Ca -0.00 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1du2 n LEU 56 Cb 0.15 -1.45 -0.05 0.00 -2.33 0.00 0.00 43.42 39.75 1du2 n LEU 56 CO 0.03 -1.01 -0.86 2.30 -1.33 0.00 0.00 177.39 176.52 1du2 n ILE 57 N 0.92 1.01 -3.12 -0.08 -5.35 -1.06 -5.07 119.36 106.61 1du2 n ILE 57 Ca -0.02 -0.09 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 1du2 n ILE 57 Cb 0.50 -1.80 0.01 0.00 -1.74 0.00 0.00 39.64 36.61 1du2 n ILE 57 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1du2 n ALA 58 N -3.80 -2.74 -2.46 -1.28 0.00 -1.26 -5.03 120.51 103.93 1du2 n ALA 58 Ca -0.25 0.62 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 1du2 n ALA 58 Cb 0.60 -2.70 -0.09 0.00 0.00 0.00 0.00 19.45 17.27 1du2 n ALA 58 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1du2 s HIS 59 N -2.50 0.87 0.33 0.00 -3.43 -1.26 -5.18 115.29 104.12 1du2 s HIS 59 Ca 0.20 -1.16 0.03 0.00 -0.80 0.00 0.00 55.06 53.34 1du2 s HIS 59 Cb -0.04 -0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 30.74 1du2 s HIS 59 CO 0.80 -0.71 0.14 1.03 -2.00 0.00 0.00 174.74 174.00 1du2 s ARG 60 N -4.10 1.67 0.38 -0.38 1.81 -1.26 -5.17 118.95 111.90 1du2 s ARG 60 Ca 0.31 -1.97 0.04 0.00 -1.72 0.00 0.00 55.73 52.39 1du2 s ARG 60 Cb 0.05 -0.29 0.04 0.00 -0.45 0.00 0.00 34.95 34.30 1du2 s ARG 60 CO 0.09 -0.43 0.31 1.28 -0.68 0.00 0.00 175.30 175.87 1du2 n LEU 61 N -0.66 0.00 0.00 2.53 4.32 -1.26 -5.11 117.00 116.82 1du2 n LEU 61 Ca -0.01 -1.95 0.00 0.00 -0.02 0.00 0.00 56.01 54.04 1du2 n LEU 61 Cb 0.65 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1du2 n LEU 61 CO 0.36 -0.50 0.00 0.00 -1.22 0.00 0.00 177.39 176.03 1du2 n ALA 62 N -2.25 0.58 0.00 -1.18 0.00 -1.26 -5.08 120.51 111.32 1du2 n ALA 62 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1du2 n ALA 62 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.80 0.00 0.00 0.00 3.41 -1.26 -5.02 113.62 108.94 1du2 n SER 63 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1du2 n SER 63 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.00 0.00 -0.01 -3.33 0.31 -1.26 -4.48 118.33 109.56 1du2 n VAL 64 Ca 0.00 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1du2 n VAL 64 Cb 0.00 0.81 -0.00 0.00 -0.91 0.00 0.00 33.84 33.74 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 0.00 4.52 2.35 -1.96 -3.42 115.58 117.07 1du2 h ASN 65 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1du2 h ASN 65 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1du2 h ASN 65 CO 0.00 0.13 0.00 -0.11 -1.65 0.00 0.00 177.43 175.80 1du2 n LEU 66 N -2.68 -1.09 -1.59 1.61 0.00 -1.26 -5.01 117.00 106.97 1du2 n LEU 66 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 56.01 56.42 1du2 n LEU 66 Cb 0.01 1.27 0.00 0.00 0.00 0.00 0.00 43.42 44.69 1du2 n LEU 66 CO 0.00 0.00 -0.45 -1.20 0.00 0.00 0.00 177.39 175.75 1du2 n SER 67 N -2.80 -8.58 -3.51 1.96 7.64 -1.26 -5.04 113.62 102.03 1du2 n SER 67 Ca 0.00 1.23 -0.11 0.00 1.01 0.00 0.00 58.87 61.01 1du2 n SER 67 Cb 0.00 -4.72 -0.03 0.00 -1.01 0.00 0.00 64.21 58.45 1du2 n SER 67 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1du2 s ARG 68 N -3.62 0.87 0.47 1.43 0.52 -1.26 -5.16 118.95 112.21 1du2 s ARG 68 Ca 0.00 -0.17 -0.23 0.00 -0.52 0.00 0.00 55.73 54.82 1du2 s ARG 68 Cb 0.00 0.40 -0.07 0.00 0.52 0.00 0.00 34.95 35.80 1du2 s ARG 68 CO 0.00 -0.35 1.18 -0.51 0.02 0.00 0.00 175.30 175.64 1du2 s LEU 69 N -2.08 3.98 1.08 2.53 1.43 -1.26 -5.02 118.68 119.34 1du2 s LEU 69 Ca 0.01 2.34 -0.18 0.00 -1.03 0.00 0.00 54.13 55.28 1du2 s LEU 69 Cb -0.01 -4.26 0.24 0.00 0.03 0.00 0.00 46.19 42.19 1du2 s LEU 69 CO -0.05 -1.00 1.22 -2.16 0.23 0.00 0.00 176.35 174.59 1du2 s PRO 70 N -2.75 -0.30 -0.10 1.29 0.04 -1.26 -5.06 135.00 126.86 1du2 s PRO 70 Ca 0.65 -0.26 -0.03 0.00 0.04 0.00 0.00 61.00 61.41 1du2 s PRO 70 Cb -0.29 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1du2 s PRO 70 CO 0.35 -3.07 0.00 -0.47 0.04 0.00 0.00 177.00 173.86 1du2 s TYR 71 N -3.46 3.16 -0.19 0.56 6.14 -1.26 -5.04 117.35 117.26 1du2 s TYR 71 Ca 0.73 0.14 -0.28 0.00 0.64 0.00 0.00 57.07 58.29 1du2 s TYR 71 Cb -0.06 -1.83 -0.05 0.00 0.42 0.00 0.00 41.96 40.43 1du2 s TYR 71 CO 0.54 0.40 2.18 -1.83 0.64 0.00 0.00 175.55 177.48 1du2 s GLU 72 N -0.66 3.26 0.00 4.97 -1.05 -1.26 -4.80 118.70 119.17 1du2 s GLU 72 Ca 0.11 2.09 0.23 0.00 -0.15 0.00 0.00 54.97 57.25 1du2 s GLU 72 Cb -0.12 -4.34 1.31 0.00 -0.44 0.00 0.00 34.13 30.55 1du2 s GLU 72 CO 0.02 -1.95 1.77 -0.35 0.95 0.00 0.00 175.26 175.70 1du2 n PRO 73 N 8.59 0.58 -1.31 -4.83 -0.04 -1.26 -4.88 135.00 131.85 1du2 n PRO 73 Ca 0.28 0.03 -0.45 0.00 -0.04 0.00 0.00 63.50 63.32 1du2 n PRO 73 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1du2 n PRO 73 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1du2 n LYS 74 N -1.11 0.00 0.00 0.54 0.00 -1.26 -4.93 118.16 111.40 1du2 n LYS 74 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1du2 n LYS 74 Cb 0.12 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.19 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 1.83 0.00 0.00 3.14 0.00 -1.26 -5.26 117.00 115.45 1du2 n LEU 75 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.19 1du2 n LEU 75 Cb 0.22 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.71 1du2 n LEU 75 CO 0.52 0.00 0.31 1.17 0.00 0.00 0.00 177.39 179.40