#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 4.30 -0.30 3.17 0.05 -1.26 -5.00 118.68 119.64 1du2 s LEU 2 Ca 0.00 2.51 -0.11 0.00 0.05 0.00 0.00 54.13 56.58 1du2 s LEU 2 Cb 0.00 -3.85 0.18 0.00 -2.05 0.00 0.00 46.19 40.48 1du2 s LEU 2 CO 0.00 -0.62 1.01 -1.59 -0.55 0.00 0.00 176.35 174.60 1du2 s LYS 3 N -2.05 0.20 0.00 1.48 0.00 -1.26 -5.17 119.74 112.94 1du2 s LYS 3 Ca 0.53 0.27 0.00 0.00 0.00 0.00 0.00 55.97 56.77 1du2 s LYS 3 Cb -0.35 0.14 0.00 0.00 0.00 0.00 0.00 37.83 37.62 1du2 s LYS 3 CO 0.45 -0.29 0.00 0.27 0.00 0.00 0.00 175.35 175.78 1du2 n ASN 4 N 5.30 0.00 0.00 0.03 6.94 -1.26 -5.10 115.26 121.18 1du2 n ASN 4 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1du2 n ASN 4 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1du2 n ASN 4 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1du2 n LEU 5 N 0.00 0.55 0.00 -4.53 4.77 -1.26 -5.07 117.00 111.46 1du2 n LEU 5 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1du2 n LEU 5 Cb 0.00 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1du2 n LEU 5 CO 0.00 -0.38 0.00 0.00 -1.33 0.00 0.00 177.39 175.68 1du2 n ALA 6 N -1.79 0.53 0.06 -1.18 0.00 -1.26 -4.96 120.51 111.91 1du2 n ALA 6 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1du2 n ALA 6 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1du2 n ALA 6 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1du2 h LYS 7 N 0.00 0.37 -6.95 0.00 -0.00 -2.05 -3.47 116.57 104.47 1du2 h LYS 7 Ca 0.00 -0.36 -0.60 0.00 -0.00 0.00 0.00 60.65 59.69 1du2 h LYS 7 Cb 0.00 0.09 -0.03 0.00 -0.00 0.00 0.00 32.23 32.30 1du2 h LYS 7 CO 0.00 1.03 -1.01 -0.11 -0.00 0.00 0.00 179.45 179.36 1du2 n LEU 8 N -3.76 -0.30 -1.84 7.07 -0.00 -1.26 -4.78 117.00 112.13 1du2 n LEU 8 Ca -0.05 -1.30 -0.01 0.00 -0.00 0.00 0.00 56.01 54.65 1du2 n LEU 8 Cb 0.78 -1.62 -0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1du2 n LEU 8 CO 0.49 0.80 0.36 0.47 -0.00 0.00 0.00 177.39 179.51 1du2 n ASP 9 N -2.20 -0.32 0.16 1.96 8.00 -1.26 -4.99 116.55 117.89 1du2 n ASP 9 Ca -0.12 -1.19 0.04 0.00 0.71 0.00 0.00 54.79 54.23 1du2 n ASP 9 Cb 0.57 0.28 0.13 0.00 -0.02 0.00 0.00 41.12 42.09 1du2 n ASP 9 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1du2 h GLN 10 N 0.31 0.00 0.28 -1.24 3.07 -2.00 -3.18 115.11 112.33 1du2 h GLN 10 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.55 1du2 h GLN 10 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 1du2 h GLN 10 CO -0.07 0.45 -0.13 1.15 0.09 0.00 0.00 178.83 180.32 1du2 h THR 11 N 0.00 0.76 -0.06 1.86 2.02 -2.00 -2.68 112.91 112.81 1du2 h THR 11 Ca -0.00 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1du2 h THR 11 Cb 1.22 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1du2 h THR 11 CO 0.06 0.12 0.13 -0.08 0.37 0.00 0.00 175.52 176.11 1du2 h GLU 12 N -0.69 0.00 -0.25 6.66 4.81 -1.96 0.75 114.58 123.89 1du2 h GLU 12 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1du2 h GLU 12 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1du2 h GLU 12 CO 0.06 0.00 -0.15 1.98 -0.73 0.00 0.00 179.01 180.17 1du2 h MET 13 N 0.00 0.43 0.00 1.92 4.05 -1.45 1.05 114.93 120.93 1du2 h MET 13 Ca 0.03 -0.12 -0.13 0.00 -0.28 0.00 0.00 59.70 59.19 1du2 h MET 13 Cb 0.28 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1du2 h MET 13 CO -0.00 0.57 -0.62 0.22 0.23 0.00 0.00 176.91 177.32 1du2 h ASP 14 N 0.40 0.00 0.00 1.39 3.58 -0.81 -2.98 116.42 117.99 1du2 h ASP 14 Ca 0.07 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 1du2 h ASP 14 Cb 0.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1du2 h ASP 14 CO 0.03 0.62 -0.36 0.11 -2.88 0.00 0.00 179.24 176.76 1du2 h LYS 15 N 0.00 0.00 -0.48 0.28 6.56 -1.25 -3.24 116.57 118.44 1du2 h LYS 15 Ca -0.01 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.72 1du2 h LYS 15 Cb 1.20 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.84 1du2 h LYS 15 CO 0.08 0.78 0.75 0.28 -2.06 0.00 0.00 179.45 179.28 1du2 h VAL 16 N -1.00 0.13 0.28 0.50 2.07 0.11 0.54 116.25 118.88 1du2 h VAL 16 Ca -0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1du2 h VAL 16 Cb 0.89 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1du2 h VAL 16 CO -0.05 0.00 -0.13 -1.13 0.02 0.00 0.00 177.57 176.27 1du2 h ASN 17 N 0.00 -0.32 0.12 0.57 -1.24 -1.58 -3.14 115.58 110.00 1du2 h ASN 17 Ca 0.23 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1du2 h ASN 17 Cb 1.72 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.85 1du2 h ASN 17 CO -0.00 0.02 0.00 0.52 -1.29 0.00 0.00 177.43 176.68 1du2 n VAL 18 N -4.38 1.04 0.18 2.57 0.31 0.42 -1.13 118.33 117.34 1du2 n VAL 18 Ca -0.05 0.64 0.12 0.00 -0.01 0.00 0.00 64.34 65.05 1du2 n VAL 18 Cb 0.15 -1.63 0.64 0.00 -0.91 0.00 0.00 33.84 32.09 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 0.33 4.52 3.58 -0.01 0.84 116.42 125.68 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 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1du2 h ASP 19 CO 0.00 0.00 -1.30 -0.11 -2.88 0.00 0.00 179.24 174.95 1du2 n LEU 20 N -2.34 0.51 0.00 2.28 7.94 -0.28 -4.71 117.00 120.41 1du2 n LEU 20 Ca -0.02 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1du2 n LEU 20 Cb 0.07 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1du2 n LEU 20 CO 0.10 0.02 0.00 0.00 -1.11 0.00 0.00 177.39 176.41 1du2 n ALA 21 N -1.96 0.00 -2.26 1.96 0.00 0.29 -4.98 120.51 113.56 1du2 n ALA 21 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1du2 n ALA 21 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.44 4.52 0.00 0.00 0.00 -1.24 -5.12 121.76 117.48 1du2 s ALA 22 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1du2 s ALA 22 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1du2 s ALA 22 CO 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 175.76 175.18 1du2 n ALA 23 N -1.92 0.02 0.00 0.00 0.00 -1.26 -4.78 120.51 112.57 1du2 n ALA 23 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1du2 n ALA 23 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 3.36 -0.94 0.04 0.00 0.00 -1.26 -4.21 105.19 102.17 1du2 n GLY 24 Ca 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 0.43 0.28 1.61 0.31 -1.26 -4.30 118.33 115.39 1du2 n VAL 25 Ca 0.00 -0.19 0.07 0.00 -0.01 0.00 0.00 64.34 64.21 1du2 n VAL 25 Cb 0.00 -0.79 0.31 0.00 -0.91 0.00 0.00 33.84 32.45 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 -2.59 1.37 -2.64 3.52 0.00 -1.26 -4.27 120.51 114.63 1du2 n ALA 26 Ca -0.12 0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1du2 n ALA 26 Cb 0.66 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.16 1.05 0.00 0.00 0.40 -1.26 -2.36 117.98 112.65 1du2 s PHE 27 Ca 0.03 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1du2 s PHE 27 Cb 0.06 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 43.01 1du2 s PHE 27 CO 0.21 0.01 0.00 1.17 0.70 0.00 0.00 175.22 177.30 1du2 n LYS 28 N 1.01 0.00 -0.54 0.44 3.00 -1.26 -4.63 118.16 116.18 1du2 n LYS 28 Ca -0.19 0.00 0.43 0.00 -0.00 0.00 0.00 58.31 58.55 1du2 n LYS 28 Cb 0.56 -0.65 0.66 0.00 0.00 0.00 0.00 35.03 35.60 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 -2.00 0.00 0.15 1.64 -0.00 -1.26 0.21 120.64 119.37 1du2 n GLU 29 Ca 0.00 0.95 0.18 0.00 -0.00 0.00 0.00 57.16 58.29 1du2 n GLU 29 Cb 0.00 -2.24 0.63 0.00 -0.00 0.00 0.00 31.44 29.83 1du2 n GLU 29 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1du2 h ARG 30 N 0.00 0.00 -0.06 3.44 9.65 -1.95 1.88 114.38 127.34 1du2 h ARG 30 Ca 0.75 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.63 1du2 h ARG 30 Cb 3.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.80 1du2 h ARG 30 CO -0.01 0.00 0.00 2.48 2.80 0.00 0.00 179.97 185.24 1du2 n TYR 31 N -3.23 0.08 -2.02 2.20 0.18 0.55 -4.87 117.16 110.06 1du2 n TYR 31 Ca 0.06 -0.04 -0.03 0.00 1.88 0.00 0.00 57.90 59.77 1du2 n TYR 31 Cb 0.74 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.72 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 -0.35 -3.54 -4.65 9.48 2.85 0.64 -5.01 115.26 114.67 1du2 n ASN 32 Ca 0.06 -0.16 -0.40 0.00 -0.11 0.00 0.00 54.58 53.96 1du2 n ASN 32 Cb 0.08 -2.07 -0.06 0.00 1.24 0.00 0.00 39.78 38.97 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 -3.30 4.20 1.03 1.20 0.23 -0.96 -5.06 119.30 116.63 1du2 s MET 33 Ca 0.10 0.61 -0.16 0.00 -1.03 0.00 0.00 55.69 55.21 1du2 s MET 33 Cb -0.01 -3.59 0.21 0.00 -1.53 0.00 0.00 34.83 29.91 1du2 s MET 33 CO 0.23 -0.27 1.20 -1.25 -2.03 0.00 0.00 175.02 172.90 1du2 s PRO 34 N 2.01 0.13 -0.34 3.16 0.04 -1.26 -4.83 135.00 133.91 1du2 s PRO 34 Ca 0.28 -0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.19 1du2 s PRO 34 Cb -0.16 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1du2 s PRO 34 CO 0.10 -2.81 1.91 0.28 0.04 0.00 0.00 177.00 176.52 1du2 n VAL 35 N -4.11 1.64 -3.89 -0.36 0.31 -1.26 -4.69 118.33 105.98 1du2 n VAL 35 Ca 0.12 -0.91 -0.09 0.00 -0.01 0.00 0.00 64.34 63.45 1du2 n VAL 35 Cb 0.59 -1.86 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 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 2.84 0.14 -0.11 2.52 1.01 -1.26 -5.06 121.20 121.28 1du2 s ILE 36 Ca 0.31 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 59.86 1du2 s ILE 36 Cb 0.12 -1.19 -0.11 0.00 0.01 0.00 0.00 42.46 41.29 1du2 s ILE 36 CO -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 174.94 174.25 1du2 n ALA 37 N 0.25 1.74 0.25 9.38 0.00 -1.26 -4.18 120.51 126.68 1du2 n ALA 37 Ca -0.16 -0.62 0.07 0.00 0.00 0.00 0.00 53.44 52.73 1du2 n ALA 37 Cb 0.61 0.11 0.32 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.60 0.07 -0.01 0.00 2.13 -1.26 -0.61 120.64 118.37 1du2 n GLU 38 Ca -0.19 0.46 0.11 0.00 0.66 0.00 0.00 57.16 58.19 1du2 n GLU 38 Cb 0.79 -1.69 -0.16 0.00 0.27 0.00 0.00 31.44 30.65 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 2.82 -0.02 4.31 0.00 -1.26 -3.23 120.51 121.51 1du2 n ALA 39 Ca 0.01 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 1du2 n ALA 39 Cb 0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 1.30 0.23 0.00 2.07 -1.02 -1.65 116.25 117.17 1du2 h VAL 40 Ca 0.00 -1.95 -0.32 0.00 0.82 0.00 0.00 66.70 65.24 1du2 h VAL 40 Cb 0.99 1.93 0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1du2 h VAL 40 CO 0.00 0.62 -1.42 -0.33 0.02 0.00 0.00 177.57 176.45 1du2 h GLU 41 N 0.51 0.48 0.00 1.57 5.08 -1.63 -1.58 114.58 119.00 1du2 h GLU 41 Ca -0.03 -0.82 -0.04 0.00 -1.00 0.00 0.00 59.36 57.47 1du2 h GLU 41 Cb 1.33 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1du2 h GLU 41 CO 0.14 1.39 -0.18 0.07 -1.00 0.00 0.00 179.01 179.44 1du2 h ARG 42 N 0.13 0.00 0.00 2.33 -0.00 -1.58 -3.35 114.38 111.92 1du2 h ARG 42 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.75 1du2 h ARG 42 Cb 2.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 32.09 1du2 h ARG 42 CO 0.26 0.18 0.00 0.39 -0.00 0.00 0.00 179.97 180.80 1du2 n GLU 43 N -4.30 0.00 -3.15 0.08 -0.58 -0.62 -5.01 120.64 107.06 1du2 n GLU 43 Ca -0.02 0.05 0.04 0.00 -0.42 0.00 0.00 57.16 56.81 1du2 n GLU 43 Cb 0.24 -0.40 -0.00 0.00 -0.57 0.00 0.00 31.44 30.71 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 -0.16 0.56 0.07 3.49 -0.44 -0.62 -5.08 119.66 117.47 1du2 s GLN 44 Ca 0.00 0.66 -0.30 0.00 -2.50 0.00 0.00 55.36 53.22 1du2 s GLN 44 Cb 0.00 0.33 -0.06 0.00 -1.64 0.00 0.00 33.01 31.64 1du2 s GLN 44 CO 0.00 -0.94 1.16 -1.25 0.50 0.00 0.00 175.29 174.77 1du2 s PRO 45 N 2.84 4.47 0.15 1.67 0.04 -1.07 -4.78 135.00 138.32 1du2 s PRO 45 Ca 0.13 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.73 1du2 s PRO 45 Cb -0.11 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1du2 s PRO 45 CO -0.25 -0.19 1.79 1.05 0.04 0.00 0.00 177.00 179.44 1du2 h GLU 46 N 6.60 0.42 -1.00 4.56 -0.00 -1.82 -1.38 114.58 121.96 1du2 h GLU 46 Ca -0.42 -0.03 0.23 0.00 -0.00 0.00 0.00 59.36 59.15 1du2 h GLU 46 Cb 1.21 -0.09 -0.09 0.00 -0.00 0.00 0.00 28.75 29.78 1du2 h GLU 46 CO 0.79 0.28 0.63 1.12 -0.00 0.00 0.00 179.01 181.84 1du2 h HIS 47 N 0.43 0.77 -0.01 2.06 2.07 -1.92 1.66 115.15 120.21 1du2 h HIS 47 Ca 0.15 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1du2 h HIS 47 Cb 0.02 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 29.77 1du2 h HIS 47 CO -0.08 0.12 0.02 -0.07 -3.07 0.00 0.00 177.93 174.86 1du2 h LEU 48 N 0.51 0.00 -0.96 6.12 -0.00 -1.60 1.62 115.31 120.99 1du2 h LEU 48 Ca 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.41 1du2 h LEU 48 Cb 1.26 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.89 1du2 h LEU 48 CO -0.31 0.00 0.27 0.08 -0.00 0.00 0.00 178.44 178.48 1du2 h ARG 49 N 0.00 1.02 0.00 1.13 0.11 0.25 0.38 114.38 117.27 1du2 h ARG 49 Ca 0.01 -0.17 -0.28 0.00 0.10 0.00 0.00 59.98 59.63 1du2 h ARG 49 Cb 0.05 -0.17 -0.05 0.00 1.11 0.00 0.00 29.97 30.91 1du2 h ARG 49 CO -0.00 0.83 -2.18 0.45 0.10 0.00 0.00 179.97 179.17 1du2 n SER 50 N -4.29 0.57 0.19 0.08 2.88 -0.08 -2.03 113.62 110.93 1du2 n SER 50 Ca 0.06 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.64 1du2 n SER 50 Cb 0.18 1.07 0.36 0.00 -0.75 0.00 0.00 64.21 65.07 1du2 n SER 50 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1du2 h TRP 51 N 0.00 0.00 0.00 0.66 -0.00 0.23 1.53 115.95 118.38 1du2 h TRP 51 Ca -0.42 0.00 -0.39 0.00 -0.00 0.00 0.00 58.89 58.08 1du2 h TRP 51 Cb 1.94 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 31.03 1du2 h TRP 51 CO 0.00 0.39 -2.47 0.34 -0.00 0.00 0.00 178.44 176.70 1du2 n PHE 52 N -3.80 0.00 1.31 0.49 7.35 0.13 -4.31 117.46 118.63 1du2 n PHE 52 Ca -0.01 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.80 1du2 n PHE 52 Cb 0.46 -0.99 0.43 0.00 0.35 0.00 0.00 39.48 39.73 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 -3.23 1.74 -0.48 -4.13 0.63 -0.86 -4.33 116.66 105.99 1du2 n ARG 53 Ca -0.45 -1.09 0.38 0.00 -0.92 0.00 0.00 57.85 55.76 1du2 n ARG 53 Cb 0.99 -1.44 0.60 0.00 0.45 0.00 0.00 32.46 33.07 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 0.32 -0.01 -0.72 -0.14 0.00 0.52 -2.29 120.64 118.32 1du2 n GLU 54 Ca 0.17 0.89 -0.24 0.00 0.00 0.00 0.00 57.16 57.98 1du2 n GLU 54 Cb 0.35 -1.94 -0.03 0.00 0.00 0.00 0.00 31.44 29.83 1du2 n GLU 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1du2 n ARG 55 N -3.78 1.61 -1.24 3.44 0.63 -1.26 -4.39 116.66 111.67 1du2 n ARG 55 Ca 0.33 -1.39 -0.00 0.00 -0.92 0.00 0.00 57.85 55.87 1du2 n ARG 55 Cb 1.44 -2.49 -0.00 0.00 0.45 0.00 0.00 32.46 31.86 1du2 n ARG 55 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1du2 n LEU 56 N 5.15 -2.19 0.03 6.15 -0.00 -0.97 -5.07 117.00 120.10 1du2 n LEU 56 Ca 0.40 0.11 -0.01 0.00 -0.00 0.00 0.00 56.01 56.51 1du2 n LEU 56 Cb 0.18 -1.10 -0.00 0.00 -0.00 0.00 0.00 43.42 42.50 1du2 n LEU 56 CO 0.76 -0.14 -0.16 0.00 -0.00 0.00 0.00 177.39 177.85 1du2 n ILE 57 N 0.08 0.95 -3.43 1.96 3.06 -1.24 -4.96 119.36 115.77 1du2 n ILE 57 Ca -0.01 0.29 0.00 0.00 -2.50 0.00 0.00 62.75 60.54 1du2 n ILE 57 Cb 0.01 -1.60 0.00 0.00 0.54 0.00 0.00 39.64 38.59 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 -3.42 0.00 -3.72 1.51 0.00 -1.26 -5.12 120.51 108.50 1du2 n ALA 58 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1du2 n ALA 58 Cb 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.44 1du2 n ALA 58 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1du2 s HIS 59 N -3.00 1.10 0.28 0.00 3.76 -1.26 -5.07 115.29 111.09 1du2 s HIS 59 Ca 0.00 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.88 1du2 s HIS 59 Cb 0.00 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.54 1du2 s HIS 59 CO 0.00 -0.68 0.00 -2.13 -0.85 0.00 0.00 174.74 171.08 1du2 n ARG 60 N 5.03 -1.63 -1.62 1.40 0.63 -1.26 -5.07 116.66 114.14 1du2 n ARG 60 Ca -0.07 1.31 0.00 0.00 -0.92 0.00 0.00 57.85 58.16 1du2 n ARG 60 Cb 0.46 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.60 1du2 n ARG 60 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1du2 n LEU 61 N -2.66 0.00 0.00 6.15 7.99 -1.26 -5.15 117.00 122.08 1du2 n LEU 61 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 1du2 n LEU 61 Cb 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1du2 n LEU 61 CO 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.89 1du2 n ALA 62 N -3.00 0.00 0.00 -1.18 0.00 -1.26 -5.13 120.51 109.94 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 0.43 0.00 0.00 0.00 177.50 177.93 1du2 n SER 63 N 0.00 0.00 0.00 0.00 7.64 -1.26 -5.07 113.62 114.93 1du2 n SER 63 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1du2 n SER 63 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -0.33 0.44 0.31 -1.26 -4.45 118.33 113.04 1du2 n VAL 64 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 64.34 64.57 1du2 n VAL 64 Cb 0.00 -0.02 0.45 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.06 -5.91 4.52 7.08 -1.86 -3.45 115.58 115.90 1du2 h ASN 65 Ca 0.00 0.27 -0.15 0.00 -3.08 0.00 0.00 56.30 53.34 1du2 h ASN 65 Cb 0.00 0.37 0.01 0.00 -2.08 0.00 0.00 38.32 36.62 1du2 h ASN 65 CO 0.00 -0.39 -0.92 -0.11 -2.08 0.00 0.00 177.43 173.93 1du2 n LEU 66 N -5.37 -5.26 0.00 6.14 0.00 -1.26 -5.00 117.00 106.25 1du2 n LEU 66 Ca 0.31 0.39 0.00 0.00 0.00 0.00 0.00 56.01 56.71 1du2 n LEU 66 Cb 1.03 -2.44 0.00 0.00 0.00 0.00 0.00 43.42 42.01 1du2 n LEU 66 CO -0.03 -1.48 0.00 -1.20 0.00 0.00 0.00 177.39 174.69 1du2 n SER 67 N 0.15 0.00 -3.42 1.96 7.64 -1.26 -5.15 113.62 113.55 1du2 n SER 67 Ca 0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.86 1du2 n SER 67 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1du2 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1du2 s ARG 68 N 0.00 1.26 0.12 1.43 1.04 -1.26 -5.09 118.95 116.45 1du2 s ARG 68 Ca 0.00 -0.80 0.00 0.00 -1.04 0.00 0.00 55.73 53.89 1du2 s ARG 68 Cb 0.00 0.36 0.00 0.00 -2.04 0.00 0.00 34.95 33.27 1du2 s ARG 68 CO 0.00 -0.59 0.00 -0.11 -0.04 0.00 0.00 175.30 174.56 1du2 n LEU 69 N -0.68 -1.06 -4.81 -1.89 -0.00 -1.26 -5.14 117.00 102.16 1du2 n LEU 69 Ca -0.03 0.57 -0.33 0.00 -0.00 0.00 0.00 56.01 56.22 1du2 n LEU 69 Cb 0.60 1.33 0.00 0.00 -0.00 0.00 0.00 43.42 45.36 1du2 n LEU 69 CO 0.20 0.07 0.71 -2.16 -0.00 0.00 0.00 177.39 176.21 1du2 s PRO 70 N -2.00 3.40 0.00 1.96 0.04 -1.26 -4.94 135.00 132.20 1du2 s PRO 70 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1du2 s PRO 70 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1du2 s PRO 70 CO 0.00 -0.74 0.00 2.48 0.04 0.00 0.00 177.00 178.78 1du2 n TYR 71 N -1.97 -0.96 -1.71 0.56 4.11 -1.26 -5.11 117.16 110.82 1du2 n TYR 71 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 1du2 n TYR 71 Cb 0.53 0.35 0.00 0.00 -0.00 0.00 0.00 39.34 40.22 1du2 n TYR 71 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1du2 n GLU 72 N -2.20 -0.21 -1.74 -3.48 0.28 -1.26 -4.60 120.64 107.43 1du2 n GLU 72 Ca 0.00 0.40 -0.40 0.00 -0.16 0.00 0.00 57.16 57.00 1du2 n GLU 72 Cb 0.00 -0.45 -0.03 0.00 1.43 0.00 0.00 31.44 32.39 1du2 n GLU 72 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1du2 n PRO 73 N 1.04 2.24 0.00 3.44 -0.04 -1.26 -4.73 135.00 135.68 1du2 n PRO 73 Ca 0.00 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.02 1du2 n PRO 73 Cb 0.19 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.37 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 7.20 -1.96 0.00 0.54 5.02 -1.26 -5.15 118.16 122.55 1du2 n LYS 74 Ca 0.49 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1du2 n LYS 74 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1du2 n LYS 74 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1du2 n LEU 75 N 0.00 0.00 0.00 -0.35 -0.00 -1.26 -5.16 117.00 110.23 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 0.22 0.29 -0.00 0.00 0.00 177.39 177.90