#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 -2.51 0.00 4.03 0.00 -1.26 -5.05 117.00 112.21 1du2 n LEU 2 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 56.01 56.35 1du2 n LEU 2 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 43.42 42.17 1du2 n LEU 2 CO 0.00 -0.29 0.00 1.17 0.00 0.00 0.00 177.39 178.27 1du2 n LYS 3 N 0.21 0.00 -1.52 1.96 4.81 -1.26 -5.13 118.16 117.24 1du2 n LYS 3 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 58.31 56.90 1du2 n LYS 3 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1du2 n LYS 3 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1du2 n ASN 4 N -2.33 0.45 -3.64 3.14 6.94 -1.26 -4.93 115.26 113.63 1du2 n ASN 4 Ca 0.00 1.14 -0.05 0.00 -0.02 0.00 0.00 54.58 55.66 1du2 n ASN 4 Cb 0.00 -1.05 -0.06 0.00 -2.36 0.00 0.00 39.78 36.31 1du2 n ASN 4 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1du2 s LEU 5 N 0.68 -0.15 0.00 -4.53 2.96 -1.26 -5.15 118.68 111.22 1du2 s LEU 5 Ca 0.82 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1du2 s LEU 5 Cb -1.06 1.32 0.00 0.00 0.50 0.00 0.00 46.19 46.94 1du2 s LEU 5 CO 0.54 -0.07 0.00 0.00 -1.32 0.00 0.00 176.35 175.50 1du2 n ALA 6 N 1.46 0.00 0.12 5.97 0.00 -1.26 -5.09 120.51 121.71 1du2 n ALA 6 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1du2 n ALA 6 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.00 -3.04 0.00 4.81 -1.26 -5.11 118.16 113.56 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 1.28 1.17 0.00 0.00 177.40 179.85 1du2 n LEU 8 N -2.96 -4.92 0.00 3.14 4.32 -1.26 -4.97 117.00 110.36 1du2 n LEU 8 Ca 0.00 0.79 0.00 0.00 -0.02 0.00 0.00 56.01 56.78 1du2 n LEU 8 Cb 0.00 -2.10 0.00 0.00 -1.62 0.00 0.00 43.42 39.70 1du2 n LEU 8 CO 0.00 -2.11 0.00 -0.90 -1.22 0.00 0.00 177.39 173.16 1du2 n ASP 9 N 1.27 0.00 -0.03 -1.43 5.68 -1.26 -5.01 116.55 115.77 1du2 n ASP 9 Ca -0.02 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.34 1du2 n ASP 9 Cb 0.33 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.24 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 0.00 2.27 0.16 0.11 10.64 -1.26 -4.41 117.38 124.88 1du2 n GLN 10 Ca 0.00 -0.07 -0.13 0.00 -1.83 0.00 0.00 57.00 54.97 1du2 n GLN 10 Cb 0.00 -1.18 -0.08 0.00 -0.86 0.00 0.00 30.24 28.13 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 0.14 0.70 0.00 -0.39 2.02 -1.95 -2.79 112.91 110.64 1du2 h THR 11 Ca 0.00 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1du2 h THR 11 Cb 0.35 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1du2 h THR 11 CO 0.00 0.11 -0.02 -0.08 0.37 0.00 0.00 175.52 175.90 1du2 h GLU 12 N -0.74 0.00 -0.30 6.66 4.81 -1.92 -0.83 114.58 122.25 1du2 h GLU 12 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1du2 h GLU 12 Cb 0.50 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1du2 h GLU 12 CO 0.07 0.02 -0.13 0.52 -0.73 0.00 0.00 179.01 178.76 1du2 h MET 13 N 0.00 0.52 0.00 1.92 2.86 -1.71 0.79 114.93 119.31 1du2 h MET 13 Ca -0.00 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 1du2 h MET 13 Cb 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1du2 h MET 13 CO 0.00 0.64 -0.66 0.22 1.06 0.00 0.00 176.91 178.17 1du2 h ASP 14 N 0.48 0.00 0.01 1.22 3.58 -0.99 -3.19 116.42 117.53 1du2 h ASP 14 Ca 0.09 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1du2 h ASP 14 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1du2 h ASP 14 CO 0.03 0.66 -0.01 0.11 -2.88 0.00 0.00 179.24 177.16 1du2 h LYS 15 N 0.00 -0.01 -0.70 0.28 6.56 -1.04 -3.02 116.57 118.64 1du2 h LYS 15 Ca -0.01 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 59.79 1du2 h LYS 15 Cb 1.46 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 33.09 1du2 h LYS 15 CO 0.09 0.61 0.85 -0.24 -2.06 0.00 0.00 179.45 178.70 1du2 h VAL 16 N -0.98 0.15 0.19 0.50 3.04 0.48 1.14 116.25 120.77 1du2 h VAL 16 Ca -0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1du2 h VAL 16 Cb 0.63 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1du2 h VAL 16 CO 0.00 0.00 -0.09 -1.13 -1.01 0.00 0.00 177.57 175.34 1du2 h ASN 17 N 0.00 -0.22 0.27 3.17 -1.24 -1.56 -3.20 115.58 112.80 1du2 h ASN 17 Ca 0.33 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.32 1du2 h ASN 17 Cb 2.02 0.06 0.00 0.00 0.73 0.00 0.00 38.32 41.13 1du2 h ASN 17 CO -0.00 0.26 0.00 0.52 -1.29 0.00 0.00 177.43 176.92 1du2 n VAL 18 N -4.95 1.39 -0.62 2.57 0.31 0.84 -2.84 118.33 115.04 1du2 n VAL 18 Ca -0.04 0.40 0.49 0.00 -0.01 0.00 0.00 64.34 65.18 1du2 n VAL 18 Cb 0.12 -1.29 0.76 0.00 -0.91 0.00 0.00 33.84 32.52 1du2 n VAL 18 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1du2 h ASP 19 N 0.00 0.00 0.04 4.52 3.58 0.11 1.97 116.42 126.64 1du2 h ASP 19 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1du2 h ASP 19 Cb 0.14 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1du2 h ASP 19 CO 0.00 0.00 -0.57 -0.07 -2.88 0.00 0.00 179.24 175.72 1du2 h LEU 20 N 0.00 0.13 -2.61 2.28 3.38 -1.76 -3.27 115.31 113.47 1du2 h LEU 20 Ca 0.85 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1du2 h LEU 20 Cb 3.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 44.30 1du2 h LEU 20 CO -0.01 1.24 0.00 0.00 0.09 0.00 0.00 178.44 179.77 1du2 h ALA 21 N -0.09 1.00 -0.98 1.53 0.00 0.23 -2.95 119.26 118.00 1du2 h ALA 21 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1du2 h ALA 21 Cb 1.27 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1du2 h ALA 21 CO -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.80 1du2 n ALA 22 N -2.08 -0.28 0.00 0.00 0.00 0.37 -4.75 120.51 113.77 1du2 n ALA 22 Ca -0.02 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.35 1du2 n ALA 22 Cb 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.41 0.00 0.00 0.00 0.00 -1.12 -4.55 120.51 111.42 1du2 n ALA 23 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1du2 n ALA 23 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 2.38 0.00 0.00 0.00 -1.26 -4.74 105.19 101.57 1du2 n GLY 24 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -0.40 1.61 0.31 -1.26 -4.40 118.33 114.19 1du2 n VAL 25 Ca 0.00 -0.28 0.32 0.00 -0.01 0.00 0.00 64.34 64.37 1du2 n VAL 25 Cb 0.00 0.81 0.52 0.00 -0.91 0.00 0.00 33.84 34.26 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 -1.35 1.13 -0.10 3.52 0.00 -1.26 0.43 120.51 122.87 1du2 n ALA 26 Ca 0.01 0.56 -0.17 0.00 0.00 0.00 0.00 53.44 53.84 1du2 n ALA 26 Cb 0.14 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 1du2 n ALA 26 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1du2 n PHE 27 N -3.82 0.00 -2.51 0.00 3.72 -1.26 -4.02 117.46 109.57 1du2 n PHE 27 Ca 0.30 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.65 1du2 n PHE 27 Cb 1.25 -0.77 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1du2 n PHE 27 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1du2 n LYS 28 N -3.39 -2.54 0.00 -1.08 2.85 0.17 -4.56 118.16 109.61 1du2 n LYS 28 Ca -0.38 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 56.90 1du2 n LYS 28 Cb 0.85 -4.04 0.00 0.00 -0.65 0.00 0.00 35.03 31.19 1du2 n LYS 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1du2 n GLU 29 N -2.40 0.44 -0.34 -1.58 1.02 -1.26 -3.29 120.64 113.23 1du2 n GLU 29 Ca 0.01 0.00 0.28 0.00 -0.02 0.00 0.00 57.16 57.44 1du2 n GLU 29 Cb 0.44 -0.98 0.48 0.00 -0.02 0.00 0.00 31.44 31.35 1du2 n GLU 29 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1du2 n ARG 30 N -2.41 -0.02 0.00 3.49 3.00 -1.26 0.10 116.66 119.56 1du2 n ARG 30 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.85 58.71 1du2 n ARG 30 Cb 0.48 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1du2 n ARG 30 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1du2 n TYR 31 N -4.03 0.00 -3.21 -0.14 4.11 -1.26 -5.04 117.16 107.59 1du2 n TYR 31 Ca 0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 58.09 1du2 n TYR 31 Cb 1.10 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 40.47 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 -0.70 -7.07 -4.99 9.48 5.15 0.29 -5.01 115.26 112.41 1du2 n ASN 32 Ca 0.00 -0.41 -0.19 0.00 -0.60 0.00 0.00 54.58 53.38 1du2 n ASN 32 Cb 0.01 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.30 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1du2 s MET 33 N -3.82 3.00 0.68 1.20 -1.94 -1.21 -5.00 119.30 112.22 1du2 s MET 33 Ca 0.20 -1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 53.03 1du2 s MET 33 Cb -0.03 -2.77 0.16 0.00 2.01 0.00 0.00 34.83 34.20 1du2 s MET 33 CO 0.76 -0.10 0.75 -0.35 -0.01 0.00 0.00 175.02 176.08 1du2 n PRO 34 N -1.77 -1.54 -0.51 2.03 -0.04 -1.26 -4.80 135.00 127.11 1du2 n PRO 34 Ca 0.03 -1.18 -0.17 0.00 -0.04 0.00 0.00 63.50 62.14 1du2 n PRO 34 Cb 0.58 -0.93 -0.02 0.00 -0.04 0.00 0.00 33.50 33.10 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 -3.54 1.53 -4.20 0.52 0.24 -1.26 -4.74 118.33 106.88 1du2 n VAL 35 Ca 0.10 -0.94 -0.15 0.00 -2.04 0.00 0.00 64.34 61.31 1du2 n VAL 35 Cb 0.36 -1.93 -0.11 0.00 -1.47 0.00 0.00 33.84 30.69 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 4.13 1.03 -0.13 1.34 1.01 -1.26 -5.05 121.20 122.27 1du2 s ILE 36 Ca 0.28 -1.70 0.04 0.00 0.00 0.00 0.00 60.65 59.27 1du2 s ILE 36 Cb 0.07 -1.45 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 1du2 s ILE 36 CO -0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 174.94 174.30 1du2 n ALA 37 N 0.47 1.70 0.16 9.38 0.00 -1.26 -4.23 120.51 126.74 1du2 n ALA 37 Ca -0.15 -0.64 0.08 0.00 0.00 0.00 0.00 53.44 52.72 1du2 n ALA 37 Cb 0.58 0.13 0.38 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 -2.77 0.10 0.00 0.00 2.13 -1.26 0.56 120.64 119.40 1du2 n GLU 38 Ca -0.23 0.55 0.09 0.00 0.66 0.00 0.00 57.16 58.22 1du2 n GLU 38 Cb 0.79 -1.78 0.05 0.00 0.27 0.00 0.00 31.44 30.77 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 -1.68 2.74 0.07 4.31 0.00 -1.26 -3.24 120.51 121.46 1du2 n ALA 39 Ca -0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 53.44 52.61 1du2 n ALA 39 Cb 0.06 -0.60 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 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 2.89 0.97 0.03 0.00 2.07 -0.06 -3.00 116.25 119.17 1du2 h VAL 40 Ca 0.00 -2.55 -0.32 0.00 0.82 0.00 0.00 66.70 64.65 1du2 h VAL 40 Cb 0.68 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 1du2 h VAL 40 CO 0.00 0.85 -1.87 -0.62 0.02 0.00 0.00 177.57 175.95 1du2 n GLU 41 N -3.58 0.67 0.23 1.57 1.02 -1.11 -3.33 120.64 116.11 1du2 n GLU 41 Ca -0.24 0.26 0.10 0.00 -0.02 0.00 0.00 57.16 57.26 1du2 n GLU 41 Cb 1.07 -1.74 0.53 0.00 -0.02 0.00 0.00 31.44 31.29 1du2 n GLU 41 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1du2 h ARG 42 N 0.02 0.00 0.00 3.49 1.12 -1.72 -3.36 114.38 113.93 1du2 h ARG 42 Ca -0.36 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 1du2 h ARG 42 Cb 2.04 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.00 1du2 h ARG 42 CO 0.07 0.21 0.00 0.39 -3.11 0.00 0.00 179.97 177.53 1du2 n GLU 43 N -3.50 0.00 -3.15 0.20 -0.58 -1.13 -5.03 120.64 107.45 1du2 n GLU 43 Ca -0.01 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.78 1du2 n GLU 43 Cb 0.38 -0.35 -0.01 0.00 -0.57 0.00 0.00 31.44 30.88 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 0.38 -1.24 3.49 0.74 -1.21 -5.08 119.66 116.75 1du2 s GLN 44 Ca 0.00 0.67 -0.20 0.00 0.05 0.00 0.00 55.36 55.88 1du2 s GLN 44 Cb 0.00 0.37 -0.01 0.00 1.10 0.00 0.00 33.01 34.47 1du2 s GLN 44 CO 0.00 -0.41 1.85 -0.35 -0.55 0.00 0.00 175.29 175.83 1du2 n PRO 45 N 5.45 2.41 -0.39 1.67 -0.04 -1.25 -4.77 135.00 138.08 1du2 n PRO 45 Ca -0.04 -2.83 0.32 0.00 -0.04 0.00 0.00 63.50 60.91 1du2 n PRO 45 Cb 0.52 -3.57 0.52 0.00 -0.04 0.00 0.00 33.50 30.93 1du2 n PRO 45 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1du2 n GLU 46 N 8.18 -0.02 0.10 0.54 0.00 -1.26 0.49 120.64 128.68 1du2 n GLU 46 Ca 0.47 0.85 0.06 0.00 0.00 0.00 0.00 57.16 58.54 1du2 n GLU 46 Cb 0.46 -1.76 0.32 0.00 0.00 0.00 0.00 31.44 30.45 1du2 n GLU 46 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1du2 n HIS 47 N -3.85 0.39 -0.05 -1.84 1.44 -1.26 -0.64 115.22 109.41 1du2 n HIS 47 Ca 0.30 0.21 -0.16 0.00 -2.01 0.00 0.00 57.72 56.06 1du2 n HIS 47 Cb 1.22 -0.75 -0.13 0.00 0.12 0.00 0.00 29.99 30.46 1du2 n HIS 47 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1du2 h LEU 48 N 0.00 0.09 -1.52 2.39 -0.00 1.10 -2.54 115.31 114.83 1du2 h LEU 48 Ca 0.00 -0.97 0.47 0.00 -0.00 0.00 0.00 57.88 57.38 1du2 h LEU 48 Cb 0.21 -0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 40.75 1du2 h LEU 48 CO 0.00 1.10 1.05 -2.11 -0.00 0.00 0.00 178.44 178.48 1du2 n ARG 49 N -4.51 -0.01 -0.01 1.13 1.85 0.18 0.32 116.66 115.61 1du2 n ARG 49 Ca -0.12 1.03 -0.20 0.00 -1.00 0.00 0.00 57.85 57.56 1du2 n ARG 49 Cb 0.56 -2.21 -0.14 0.00 -1.05 0.00 0.00 32.46 29.61 1du2 n ARG 49 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1du2 n SER 50 N -4.06 2.04 0.06 2.89 7.64 -1.24 -0.90 113.62 120.05 1du2 n SER 50 Ca 0.38 0.18 0.10 0.00 1.01 0.00 0.00 58.87 60.54 1du2 n SER 50 Cb 1.61 -0.77 0.41 0.00 -1.01 0.00 0.00 64.21 64.45 1du2 n SER 50 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1du2 n TRP 51 N -3.44 0.40 -0.10 1.43 5.03 0.66 0.11 117.44 121.53 1du2 n TRP 51 Ca -0.33 0.15 -0.15 0.00 3.03 0.00 0.00 57.50 60.21 1du2 n TRP 51 Cb 1.04 -0.74 -0.09 0.00 -1.03 0.00 0.00 31.31 30.49 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 -1.86 0.00 1.56 -5.99 3.01 0.96 -4.45 117.46 110.69 1du2 n PHE 52 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.63 1du2 n PHE 52 Cb 0.22 -0.73 0.57 0.00 -0.01 0.00 0.00 39.48 39.53 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 -3.19 1.58 -0.61 -1.08 0.63 -0.08 -4.21 116.66 109.69 1du2 n ARG 53 Ca -0.35 -0.84 0.48 0.00 -0.92 0.00 0.00 57.85 56.22 1du2 n ARG 53 Cb 0.85 -1.48 0.74 0.00 0.45 0.00 0.00 32.46 33.02 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 0.02 0.00 -0.04 -0.14 0.00 0.29 0.20 120.64 120.98 1du2 n GLU 54 Ca 0.19 1.05 0.24 0.00 0.00 0.00 0.00 57.16 58.64 1du2 n GLU 54 Cb 0.32 -2.45 0.69 0.00 0.00 0.00 0.00 31.44 30.00 1du2 n GLU 54 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1du2 h ARG 55 N 0.00 0.00 -1.17 3.44 0.11 -1.83 -3.18 114.38 111.76 1du2 h ARG 55 Ca 0.84 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.70 1du2 h ARG 55 Cb 3.56 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 34.44 1du2 h ARG 55 CO -0.01 0.00 -0.57 -0.11 0.10 0.00 0.00 179.97 179.38 1du2 n LEU 56 N -3.70 -2.97 0.16 0.08 0.00 0.53 -4.96 117.00 106.13 1du2 n LEU 56 Ca 0.13 -3.17 0.13 0.00 0.00 0.00 0.00 56.01 53.10 1du2 n LEU 56 Cb 0.90 0.73 0.33 0.00 0.00 0.00 0.00 43.42 45.39 1du2 n LEU 56 CO 0.29 1.93 0.86 -0.29 0.00 0.00 0.00 177.39 180.18 1du2 h ILE 57 N 4.82 0.00 -1.05 1.96 2.10 -1.60 -3.43 117.51 120.31 1du2 h ILE 57 Ca 0.08 -0.67 -0.37 0.00 1.08 0.00 0.00 64.86 64.98 1du2 h ILE 57 Cb 1.07 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 38.44 1du2 h ILE 57 CO 0.08 0.00 1.37 0.00 -1.08 0.00 0.00 178.15 178.52 1du2 n ALA 58 N -1.92 0.64 -0.34 0.18 0.00 -1.26 -3.93 120.51 113.88 1du2 n ALA 58 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1du2 n ALA 58 Cb 0.45 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.85 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 15.21 -1.20 -2.92 0.00 -0.00 -1.26 -5.18 115.22 119.87 1du2 n HIS 59 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 1du2 n HIS 59 Cb 0.43 0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.66 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 -1.76 -1.07 -2.50 1.57 1.85 -1.25 -5.18 116.66 108.31 1du2 n ARG 60 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 1du2 n ARG 60 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 1du2 n ARG 60 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1du2 n LEU 61 N 0.00 0.00 0.00 2.89 -0.00 -1.26 -5.11 117.00 113.52 1du2 n LEU 61 Ca 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 56.01 54.92 1du2 n LEU 61 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1du2 n LEU 61 CO 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 177.39 177.06 1du2 n ALA 62 N -2.54 2.64 -2.22 1.47 0.00 -1.26 -5.13 120.51 113.48 1du2 n ALA 62 Ca -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1du2 n ALA 62 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1du2 n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1du2 n SER 63 N -2.46 -3.33 0.00 0.00 7.64 -1.26 -5.08 113.62 109.13 1du2 n SER 63 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1du2 n SER 63 Cb 0.00 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1du2 n VAL 64 N 1.34 0.00 -0.11 0.44 0.31 -1.26 -4.95 118.33 114.10 1du2 n VAL 64 Ca -0.21 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 1du2 n VAL 64 Cb 0.32 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.16 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 -1.58 -0.21 4.52 -0.73 -1.87 -3.42 115.58 112.29 1du2 h ASN 65 Ca 0.00 0.20 0.17 0.00 1.87 0.00 0.00 56.30 58.54 1du2 h ASN 65 Cb 0.00 0.64 -0.18 0.00 0.27 0.00 0.00 38.32 39.06 1du2 h ASN 65 CO 0.00 -0.35 -0.06 -0.22 -0.37 0.00 0.00 177.43 176.42 1du2 s LEU 66 N -9.61 -0.33 -0.11 0.34 2.96 -1.26 -5.05 118.68 105.62 1du2 s LEU 66 Ca -0.12 -0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.45 1du2 s LEU 66 Cb 0.07 0.73 -0.22 0.00 0.50 0.00 0.00 46.19 47.27 1du2 s LEU 66 CO 0.52 -0.05 0.83 0.28 -1.32 0.00 0.00 176.35 176.61 1du2 h SER 67 N 6.13 -0.01 -1.60 3.68 0.02 -1.93 -3.47 113.55 116.37 1du2 h SER 67 Ca -0.06 -0.79 -0.45 0.00 -0.84 0.00 0.00 61.79 59.65 1du2 h SER 67 Cb 1.21 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.79 1du2 h SER 67 CO -0.09 0.82 -0.11 -0.60 -1.14 0.00 0.00 176.83 175.71 1du2 s ARG 68 N -2.67 2.45 -0.40 3.45 3.52 -1.26 -5.10 118.95 118.94 1du2 s ARG 68 Ca -0.17 -1.23 0.04 0.00 -0.13 0.00 0.00 55.73 54.24 1du2 s ARG 68 Cb -0.02 -2.61 0.16 0.00 -1.56 0.00 0.00 34.95 30.93 1du2 s ARG 68 CO 0.63 -0.70 0.40 -0.48 -0.81 0.00 0.00 175.30 174.33 1du2 s LEU 69 N -4.64 0.34 -0.22 -0.88 2.34 -1.26 -5.11 118.68 109.25 1du2 s LEU 69 Ca 0.59 -2.18 -0.29 0.00 0.06 0.00 0.00 54.13 52.31 1du2 s LEU 69 Cb -0.08 0.32 -0.01 0.00 -0.56 0.00 0.00 46.19 45.85 1du2 s LEU 69 CO 0.37 -0.20 1.31 -2.16 -1.06 0.00 0.00 176.35 174.61 1du2 s PRO 70 N 0.84 4.07 0.90 1.48 0.04 -1.26 -5.02 135.00 136.06 1du2 s PRO 70 Ca 0.24 1.50 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1du2 s PRO 70 Cb -0.08 -3.83 0.22 0.00 0.04 0.00 0.00 34.50 30.85 1du2 s PRO 70 CO -0.08 -0.92 0.83 2.48 0.04 0.00 0.00 177.00 179.35 1du2 n TYR 71 N 7.15 -3.69 -4.20 0.56 4.11 -1.26 -5.07 117.16 114.77 1du2 n TYR 71 Ca 0.15 -0.75 -0.28 0.00 -0.00 0.00 0.00 57.90 57.02 1du2 n TYR 71 Cb 0.46 -0.84 -0.08 0.00 -0.00 0.00 0.00 39.34 38.87 1du2 n TYR 71 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1du2 s GLU 72 N -4.87 2.34 1.07 -3.48 8.01 -1.26 -5.13 118.70 115.37 1du2 s GLU 72 Ca 0.53 -1.04 -0.17 0.00 0.01 0.00 0.00 54.97 54.30 1du2 s GLU 72 Cb -0.05 -2.37 0.23 0.00 -4.31 0.00 0.00 34.13 27.64 1du2 s GLU 72 CO 0.40 0.48 1.21 -1.25 0.01 0.00 0.00 175.26 176.12 1du2 s PRO 73 N -2.62 -0.16 0.00 0.39 0.04 -1.26 -5.08 135.00 126.30 1du2 s PRO 73 Ca 0.25 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1du2 s PRO 73 Cb -0.10 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1du2 s PRO 73 CO 0.17 -2.99 0.00 1.63 0.04 0.00 0.00 177.00 175.85 1du2 n LYS 74 N -4.22 0.00 -1.05 4.56 5.02 -1.26 -5.15 118.16 116.06 1du2 n LYS 74 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1du2 n LYS 74 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1du2 n LYS 74 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1du2 n LEU 75 N 0.00 -3.31 0.00 -0.35 7.99 -1.26 -5.34 117.00 114.73 1du2 n LEU 75 Ca 0.00 1.02 0.00 0.00 -0.01 0.00 0.00 56.01 57.02 1du2 n LEU 75 Cb 0.00 -1.69 0.00 0.00 -0.11 0.00 0.00 43.42 41.62 1du2 n LEU 75 CO 0.00 -0.60 0.23 2.29 -1.51 0.00 0.00 177.39 177.80