#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iua s ALA 2 N 0.00 2.83 0.84 0.00 0.00 -1.26 -5.02 121.76 119.15 1iua s ALA 2 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 1iua s ALA 2 Cb 0.00 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.04 1iua s ALA 2 CO 0.00 -0.75 1.11 -1.25 0.00 0.00 0.00 175.76 174.87 1iua s PRO 3 N -4.36 1.66 0.52 0.00 0.04 -1.26 -4.90 135.00 126.69 1iua s PRO 3 Ca 0.61 1.29 0.19 0.00 0.04 0.00 0.00 61.00 63.13 1iua s PRO 3 Cb -0.14 -1.82 1.33 0.00 0.04 0.00 0.00 34.50 33.91 1iua s PRO 3 CO 0.41 -2.10 2.13 0.00 0.04 0.00 0.00 177.00 177.47 1iua h ALA 4 N -1.47 1.79 -0.53 8.56 0.00 -2.01 -1.95 119.26 123.65 1iua h ALA 4 Ca -0.44 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1iua h ALA 4 Cb 1.25 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1iua h ALA 4 CO 0.48 0.06 0.14 0.27 0.00 0.00 0.00 179.25 180.20 1iua n ASN 5 N -4.30 3.81 -4.76 0.00 6.94 -1.26 -5.02 115.26 110.67 1iua n ASN 5 Ca -0.03 -3.37 -0.39 0.00 -0.02 0.00 0.00 54.58 50.77 1iua n ASN 5 Cb 0.13 -0.67 0.01 0.00 -2.36 0.00 0.00 39.78 36.89 1iua n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iua s ALA 6 N -3.06 3.17 0.22 -2.53 0.00 -0.73 -1.31 121.76 117.51 1iua s ALA 6 Ca 0.49 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 1iua s ALA 6 Cb 0.41 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1iua s ALA 6 CO 0.08 -1.06 1.65 0.08 0.00 0.00 0.00 175.76 176.52 1iua s VAL 7 N -1.26 2.18 0.15 0.00 1.01 -0.16 -4.80 120.40 117.52 1iua s VAL 7 Ca 0.61 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1iua s VAL 7 Cb -0.40 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1iua s VAL 7 CO 0.51 0.01 0.33 0.42 0.00 0.00 0.00 175.10 176.37 1iua s THR 8 N 0.88 5.25 0.45 3.92 -4.23 -1.26 -4.96 115.64 115.70 1iua s THR 8 Ca 0.71 -0.31 0.19 0.00 -1.18 0.00 0.00 61.69 61.10 1iua s THR 8 Cb -0.48 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 69.91 1iua s THR 8 CO 0.36 -0.03 2.04 0.00 -0.54 0.00 0.00 174.62 176.44 1iua h ALA 9 N 2.49 1.59 -0.66 3.99 0.00 -1.94 -2.18 119.26 122.56 1iua h ALA 9 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1iua h ALA 9 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1iua h ALA 9 CO 0.71 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.74 1iua n ASP 10 N -4.12 4.59 -4.68 0.00 5.68 -1.26 -3.94 116.55 112.82 1iua n ASP 10 Ca -0.02 -2.37 -0.44 0.00 -0.50 0.00 0.00 54.79 51.46 1iua n ASP 10 Cb 0.22 -0.57 -0.03 0.00 -1.14 0.00 0.00 41.12 39.61 1iua n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1iua n ASP 11 N 1.22 2.89 0.25 -1.12 -0.08 -0.82 -4.81 116.55 114.07 1iua n ASP 11 Ca 0.25 1.14 0.08 0.00 -1.51 0.00 0.00 54.79 54.76 1iua n ASP 11 Cb 0.84 -1.45 0.62 0.00 2.34 0.00 0.00 41.12 43.48 1iua n ASP 11 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iua h PRO 12 N 4.30 0.00 -0.19 -0.67 0.13 -1.91 -0.00 132.00 133.66 1iua h PRO 12 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 1iua h PRO 12 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1iua h PRO 12 CO 0.76 0.11 -0.61 1.15 -0.23 0.00 0.00 178.00 179.19 1iua h THR 13 N 0.00 1.31 -0.64 1.56 2.02 -1.96 -1.37 112.91 113.84 1iua h THR 13 Ca -0.00 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 1iua h THR 13 Cb 0.22 1.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1iua h THR 13 CO 0.01 0.58 0.37 0.00 0.37 0.00 0.00 175.52 176.86 1iua h ALA 14 N 0.85 1.45 -0.02 6.16 0.00 -1.36 -0.30 119.26 126.05 1iua h ALA 14 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iua h ALA 14 Cb 1.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1iua h ALA 14 CO 0.12 0.46 -0.00 0.82 0.00 0.00 0.00 179.25 180.65 1iua h ILE 15 N 0.88 1.29 -0.74 0.00 2.04 -0.97 0.35 117.51 120.36 1iua h ILE 15 Ca 0.23 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1iua h ILE 15 Cb -0.01 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1iua h ILE 15 CO -0.04 0.23 0.36 0.00 0.00 0.00 0.00 178.15 178.70 1iua h ALA 16 N 0.64 1.24 -0.02 1.87 0.00 -1.02 -2.30 119.26 119.67 1iua h ALA 16 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1iua h ALA 16 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iua h ALA 16 CO 0.00 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.12 1iua n LEU 17 N -4.33 1.99 -3.79 0.00 4.77 -0.14 -4.96 117.00 110.53 1iua n LEU 17 Ca 0.07 -0.66 -0.25 0.00 -0.03 0.00 0.00 56.01 55.14 1iua n LEU 17 Cb 0.13 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1iua n LEU 17 CO 0.39 0.33 -0.03 0.29 -1.33 0.00 0.00 177.39 177.04 1iua n LYS 18 N 0.56 -4.97 -2.32 3.23 4.76 -0.04 -0.01 118.16 119.36 1iua n LYS 18 Ca 0.17 0.59 -0.41 0.00 -2.87 0.00 0.00 58.31 55.80 1iua n LYS 18 Cb 0.43 -5.22 -0.03 0.00 -1.84 0.00 0.00 35.03 28.37 1iua n LYS 18 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1iua s TYR 19 N -3.58 3.36 -0.00 2.13 5.04 -0.30 -4.42 117.35 119.59 1iua s TYR 19 Ca 0.22 1.52 0.02 0.00 -2.44 0.00 0.00 57.07 56.39 1iua s TYR 19 Cb -0.11 -3.46 -0.01 0.00 0.35 0.00 0.00 41.96 38.73 1iua s TYR 19 CO 0.82 -1.19 -0.06 1.21 -1.34 0.00 0.00 175.55 175.00 1iua s ASN 20 N -0.47 0.72 0.09 4.32 3.84 -0.12 -4.87 114.94 118.44 1iua s ASN 20 Ca 0.48 -0.15 0.17 0.00 0.21 0.00 0.00 52.86 53.57 1iua s ASN 20 Cb -0.35 -0.07 0.71 0.00 -0.55 0.00 0.00 41.25 41.00 1iua s ASN 20 CO 0.44 0.05 1.52 0.00 -2.79 0.00 0.00 177.10 176.32 1iua n GLN 21 N 2.80 0.06 -3.89 0.43 10.64 -1.26 -1.16 117.38 125.00 1iua n GLN 21 Ca -0.14 0.32 -0.30 0.00 -1.83 0.00 0.00 57.00 55.06 1iua n GLN 21 Cb 0.58 -1.63 -0.16 0.00 -0.86 0.00 0.00 30.24 28.17 1iua n GLN 21 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iua s ASP 22 N -3.41 3.84 0.58 2.61 -1.08 -1.26 -2.79 116.67 115.16 1iua s ASP 22 Ca 0.06 -1.29 0.27 0.00 -0.52 0.00 0.00 52.55 51.07 1iua s ASP 22 Cb 0.09 -1.09 1.70 0.00 -1.46 0.00 0.00 42.92 42.15 1iua s ASP 22 CO 0.29 -0.29 2.20 0.00 0.52 0.00 0.00 175.17 177.89 1iua h ALA 23 N 7.98 1.69 0.00 3.66 0.00 -0.64 0.16 119.26 132.12 1iua h ALA 23 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1iua h ALA 23 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iua h ALA 23 CO 0.42 -0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.83 1iua n THR 24 N -3.94 0.93 -0.85 0.00 -2.24 -1.26 -2.09 114.28 104.83 1iua n THR 24 Ca -0.02 0.27 0.08 0.00 -2.27 0.00 0.00 64.05 62.11 1iua n THR 24 Cb 0.16 -1.15 0.30 0.00 -2.10 0.00 0.00 70.33 67.54 1iua n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iua n LYS 25 N -1.98 3.58 -3.88 -0.78 4.76 0.04 -5.03 118.16 114.87 1iua n LYS 25 Ca 0.02 -2.87 -0.24 0.00 -2.87 0.00 0.00 58.31 52.36 1iua n LYS 25 Cb 0.19 -1.92 -0.04 0.00 -1.84 0.00 0.00 35.03 31.43 1iua n LYS 25 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1iua s SER 26 N -1.41 4.69 -0.13 4.39 1.04 -0.89 -4.95 113.70 116.44 1iua s SER 26 Ca 0.45 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1iua s SER 26 Cb 0.34 -0.26 0.30 0.00 0.10 0.00 0.00 66.02 66.50 1iua s SER 26 CO 0.13 -0.73 1.16 -0.62 0.98 0.00 0.00 173.24 174.16 1iua n GLU 27 N -1.48 2.10 -0.34 4.02 1.02 -1.26 -4.57 120.64 120.11 1iua n GLU 27 Ca 0.00 -1.23 -0.01 0.00 -0.02 0.00 0.00 57.16 55.89 1iua n GLU 27 Cb 0.64 -1.66 0.14 0.00 -0.02 0.00 0.00 31.44 30.54 1iua n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1iua h ARG 28 N 1.07 1.25 -0.68 3.49 0.11 -1.91 -1.22 114.38 116.49 1iua h ARG 28 Ca 0.11 -0.08 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 1iua h ARG 28 Cb 1.38 -0.28 -0.03 0.00 1.11 0.00 0.00 29.97 32.15 1iua h ARG 28 CO 0.31 0.83 0.33 0.28 0.10 0.00 0.00 179.97 181.81 1iua h VAL 29 N 1.28 1.23 -0.59 0.08 2.07 -1.84 -2.52 116.25 115.97 1iua h VAL 29 Ca 0.35 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1iua h VAL 29 Cb -0.14 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1iua h VAL 29 CO -0.08 0.27 0.27 0.00 0.02 0.00 0.00 177.57 178.05 1iua h ALA 30 N 1.15 0.76 -0.00 1.67 0.00 -1.67 -3.09 119.26 118.08 1iua h ALA 30 Ca 0.23 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1iua h ALA 30 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1iua h ALA 30 CO -0.03 0.34 -0.65 0.00 0.00 0.00 0.00 179.25 178.92 1iua h ALA 31 N 1.10 0.93 -6.25 0.00 0.00 -1.14 -3.47 119.26 110.43 1iua h ALA 31 Ca 0.20 -0.59 -0.46 0.00 0.00 0.00 0.00 54.91 54.06 1iua h ALA 31 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1iua h ALA 31 CO -0.02 0.80 -0.77 0.00 0.00 0.00 0.00 179.25 179.26 1iua n ALA 32 N -2.42 -1.45 -1.76 0.00 0.00 -0.96 -4.88 120.51 109.03 1iua n ALA 32 Ca -0.01 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 1iua n ALA 32 Cb 0.64 -3.94 0.01 0.00 0.00 0.00 0.00 19.45 16.16 1iua n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iua s ARG 33 N -6.48 3.63 0.55 0.00 1.81 -1.26 -4.94 118.95 112.26 1iua s ARG 33 Ca 0.51 2.15 -0.17 0.00 -1.72 0.00 0.00 55.73 56.50 1iua s ARG 33 Cb -0.26 -2.52 -0.06 0.00 -0.45 0.00 0.00 34.95 31.67 1iua s ARG 33 CO 0.82 -0.77 1.04 -1.25 -0.68 0.00 0.00 175.30 174.46 1iua s PRO 34 N -2.57 3.55 0.00 3.54 0.04 -1.26 -4.42 135.00 133.89 1iua s PRO 34 Ca 0.63 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1iua s PRO 34 Cb -0.38 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1iua s PRO 34 CO 0.47 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1iua n GLY 35 N -0.95 3.68 3.10 0.56 0.00 -1.26 -4.52 105.19 105.80 1iua n GLY 35 Ca 0.08 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1iua n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iua s LEU 36 N 0.00 1.86 0.24 0.99 1.43 -1.26 -4.99 118.68 116.95 1iua s LEU 36 Ca 0.00 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1iua s LEU 36 Cb 0.00 0.54 -0.15 0.00 0.03 0.00 0.00 46.19 46.61 1iua s LEU 36 CO 0.00 -0.48 0.99 -2.65 0.23 0.00 0.00 176.35 174.44 1iua n PRO 37 N 0.86 1.13 -0.35 1.29 -0.02 -1.26 -4.84 135.00 131.80 1iua n PRO 37 Ca -0.19 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 61.78 1iua n PRO 37 Cb 0.58 -1.76 0.28 0.00 -0.02 0.00 0.00 33.50 32.58 1iua n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1iua h PRO 38 N 2.27 0.84 0.00 0.52 0.11 -1.87 -1.09 132.00 132.79 1iua h PRO 38 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1iua h PRO 38 Cb 1.35 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1iua h PRO 38 CO 0.63 0.56 0.00 0.39 -0.21 0.00 0.00 178.00 179.37 1iua n GLU 39 N -4.70 0.17 0.00 1.05 -0.58 -1.26 -1.68 120.64 113.64 1iua n GLU 39 Ca 0.21 0.49 0.13 0.00 -0.42 0.00 0.00 57.16 57.57 1iua n GLU 39 Cb 0.46 -1.88 0.37 0.00 -0.57 0.00 0.00 31.44 29.82 1iua n GLU 39 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1iua n GLU 40 N -2.21 0.10 -2.97 3.49 1.02 -0.41 -4.93 120.64 114.73 1iua n GLU 40 Ca 0.01 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.70 1iua n GLU 40 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1iua n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iua s GLN 41 N -2.93 4.49 0.33 3.49 -0.21 -0.67 -4.95 119.66 119.20 1iua s GLN 41 Ca 0.14 1.06 -0.18 0.00 0.02 0.00 0.00 55.36 56.40 1iua s GLN 41 Cb 0.18 -3.39 0.04 0.00 1.00 0.00 0.00 33.01 30.84 1iua s GLN 41 CO 0.63 0.20 0.75 -3.38 -2.12 0.00 0.00 175.29 171.37 1iua s HIS 42 N 0.24 -0.02 0.36 0.91 -3.43 -1.26 -4.89 115.29 107.19 1iua s HIS 42 Ca 0.40 -0.54 0.06 0.00 -0.80 0.00 0.00 55.06 54.17 1iua s HIS 42 Cb -0.20 0.76 0.74 0.00 -1.43 0.00 0.00 32.58 32.45 1iua s HIS 42 CO 0.22 -1.40 1.95 0.00 -2.00 0.00 0.00 174.74 173.52 1iua h ALA 44 N 1.60 1.27 -0.52 0.00 0.00 -1.60 -1.20 119.26 118.82 1iua h ALA 44 Ca 0.32 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.95 1iua h ALA 44 Cb 0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 1iua h ALA 44 CO -0.11 0.07 0.13 0.27 0.00 0.00 0.00 179.25 179.61 1iua n ASN 45 N -3.55 3.18 -4.69 0.00 0.23 -0.79 -4.97 115.26 104.68 1iua n ASN 45 Ca -0.02 -3.59 -0.35 0.00 -0.53 0.00 0.00 54.58 50.09 1iua n ASN 45 Cb 0.17 -0.68 -0.09 0.00 -2.08 0.00 0.00 39.78 37.09 1iua n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1iua h GLN 47 N 5.14 0.00 0.00 0.00 5.75 -0.77 -2.54 115.11 122.69 1iua h GLN 47 Ca -0.51 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1iua h GLN 47 Cb 1.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1iua h GLN 47 CO 0.54 0.04 -0.30 1.19 -2.65 0.00 0.00 178.83 177.66 1iua n PHE 48 N -4.00 0.13 -2.13 3.99 3.72 -1.26 -4.85 117.46 113.05 1iua n PHE 48 Ca -0.03 0.04 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 1iua n PHE 48 Cb 0.13 -0.43 -0.02 0.00 -0.94 0.00 0.00 39.48 38.21 1iua n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1iua s MET 49 N -3.03 4.35 -0.40 -1.08 1.75 -0.96 -1.06 119.30 118.87 1iua s MET 49 Ca 0.11 2.19 -0.09 0.00 -1.25 0.00 0.00 55.69 56.65 1iua s MET 49 Cb 0.17 -3.11 0.07 0.00 2.84 0.00 0.00 34.83 34.80 1iua s MET 49 CO 0.63 -0.23 0.23 -0.65 -0.65 0.00 0.00 175.02 174.36 1iua s GLN 50 N -1.16 2.62 0.59 4.11 -0.21 0.42 -4.91 119.66 121.12 1iua s GLN 50 Ca 0.52 -1.39 0.38 0.00 0.02 0.00 0.00 55.36 54.89 1iua s GLN 50 Cb -0.39 -3.73 1.86 0.00 1.00 0.00 0.00 33.01 31.74 1iua s GLN 50 CO 0.48 -0.90 2.15 0.00 -2.12 0.00 0.00 175.29 174.90 1iua h ALA 51 N 8.38 1.00 -0.33 6.09 0.00 -1.94 -2.70 119.26 129.77 1iua h ALA 51 Ca -0.23 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1iua h ALA 51 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1iua h ALA 51 CO 0.73 0.00 0.01 0.09 0.00 0.00 0.00 179.25 180.08 1iua n ASN 52 N -3.04 3.78 -4.11 0.00 3.02 -1.26 -4.91 115.26 108.75 1iua n ASN 52 Ca -0.01 -3.16 -0.24 0.00 -0.03 0.00 0.00 54.58 51.13 1iua n ASN 52 Cb 0.19 -0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 38.62 1iua n ASN 52 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iua s VAL 53 N -2.92 1.26 0.00 2.41 1.01 -1.02 -5.03 120.40 116.11 1iua s VAL 53 Ca 0.44 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1iua s VAL 53 Cb 0.36 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1iua s VAL 53 CO 0.08 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1iua n GLY 54 N 3.11 -1.80 3.30 4.51 0.00 -1.26 -1.95 105.19 111.10 1iua n GLY 54 Ca -0.18 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1iua n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iua s GLU 55 N 0.00 0.69 7.41 1.61 -6.30 0.22 -4.93 118.70 117.40 1iua s GLU 55 Ca 0.00 0.06 0.00 0.00 -2.50 0.00 0.00 54.97 52.53 1iua s GLU 55 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 34.13 34.45 1iua s GLU 55 CO 0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1iua n GLY 56 N 1.58 2.93 0.07 -1.50 0.00 -1.26 -1.72 105.19 105.29 1iua n GLY 56 Ca -0.19 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.74 1iua n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iua n ASP 57 N 4.98 0.24 -4.08 1.61 8.00 -1.26 -4.69 116.55 121.35 1iua n ASP 57 Ca 0.00 -0.67 -0.33 0.00 0.71 0.00 0.00 54.79 54.50 1iua n ASP 57 Cb 0.00 -0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 40.86 1iua n ASP 57 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1iua s TRP 58 N -2.30 3.55 0.32 1.24 0.52 -0.70 -0.64 118.94 120.93 1iua s TRP 58 Ca 0.36 -2.54 0.06 0.00 0.02 0.00 0.00 56.10 54.01 1iua s TRP 58 Cb 0.21 -2.68 -0.06 0.00 -1.15 0.00 0.00 33.47 29.78 1iua s TRP 58 CO 0.42 -0.92 -0.02 0.15 0.02 0.00 0.00 176.95 176.60 1iua s LYS 59 N 1.06 1.68 0.72 4.98 -0.14 -0.27 -0.61 119.74 127.15 1iua s LYS 59 Ca 0.04 -1.89 -0.11 0.00 -1.36 0.00 0.00 55.97 52.65 1iua s LYS 59 Cb -0.20 -1.24 0.02 0.00 -1.68 0.00 0.00 37.83 34.73 1iua s LYS 59 CO -0.05 -0.02 1.07 0.20 -0.76 0.00 0.00 175.35 175.79 1iua s GLY 60 N -3.52 1.69 -0.04 -3.33 0.00 -0.82 -0.51 107.32 100.78 1iua s GLY 60 Ca 0.33 0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.21 1iua s GLY 60 CO 0.14 0.47 -0.05 0.00 0.00 0.00 0.00 173.10 173.67 1iua h GLN 62 N 6.98 0.00 0.00 0.00 4.20 -1.45 -1.41 115.11 123.44 1iua h GLN 62 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1iua h GLN 62 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1iua h GLN 62 CO 0.48 0.00 -0.12 1.28 -0.67 0.00 0.00 178.83 179.80 1iua n LEU 63 N -4.15 0.35 -3.27 1.46 4.77 -1.26 -4.26 117.00 110.63 1iua n LEU 63 Ca -0.00 0.43 -0.26 0.00 -0.03 0.00 0.00 56.01 56.14 1iua n LEU 63 Cb 0.20 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1iua n LEU 63 CO 0.31 -0.04 0.02 0.49 -1.33 0.00 0.00 177.39 176.85 1iua n PHE 64 N -1.75 2.98 -1.96 -1.77 3.72 -0.53 -5.09 117.46 113.05 1iua n PHE 64 Ca 0.06 -4.02 -0.41 0.00 -0.05 0.00 0.00 57.45 53.02 1iua n PHE 64 Cb 0.37 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1iua n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iua s PRO 65 N -2.51 4.24 0.00 -1.08 0.04 -1.26 -2.01 135.00 132.43 1iua s PRO 65 Ca 0.41 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1iua s PRO 65 Cb 0.19 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1iua s PRO 65 CO -0.06 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1iua n GLY 66 N 2.49 1.05 3.73 0.56 0.00 -1.26 -5.04 105.19 106.72 1iua n GLY 66 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1iua n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iua s LYS 67 N -0.49 2.14 0.00 1.61 1.02 -0.85 -4.94 119.74 118.24 1iua s LYS 67 Ca 0.00 -2.30 0.05 0.00 0.02 0.00 0.00 55.97 53.74 1iua s LYS 67 Cb 0.00 -1.59 -0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1iua s LYS 67 CO 0.00 -0.28 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.47 1iua s LEU 68 N -3.85 2.08 0.46 3.17 1.43 -0.43 -4.54 118.68 117.00 1iua s LEU 68 Ca 0.15 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1iua s LEU 68 Cb 0.04 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1iua s LEU 68 CO 0.08 0.17 0.48 0.27 0.23 0.00 0.00 176.35 177.58 1iua s ILE 69 N -0.53 2.52 -0.14 -0.59 -5.25 0.33 -0.99 121.20 116.55 1iua s ILE 69 Ca 0.06 -1.25 -0.09 0.00 -0.99 0.00 0.00 60.65 58.38 1iua s ILE 69 Cb -0.07 -2.77 -0.05 0.00 2.95 0.00 0.00 42.46 42.53 1iua s ILE 69 CO 0.00 0.00 0.17 0.21 -1.79 0.00 0.00 174.94 173.53 1iua s ASN 70 N -4.27 6.36 0.62 4.36 3.84 -1.26 -1.12 114.94 123.48 1iua s ASN 70 Ca 0.49 0.42 0.33 0.00 0.21 0.00 0.00 52.86 54.31 1iua s ASN 70 Cb -0.05 -2.10 1.83 0.00 -0.55 0.00 0.00 41.25 40.38 1iua s ASN 70 CO 0.29 0.30 2.13 -0.37 -2.79 0.00 0.00 177.10 176.66 1iua h VAL 71 N 4.27 0.27 -0.48 -5.21 -1.51 -1.20 0.43 116.25 112.81 1iua h VAL 71 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1iua h VAL 71 Cb 1.20 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1iua h VAL 71 CO 0.66 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.59 1iua n ASN 72 N -3.46 2.70 -1.85 4.19 3.02 -1.26 -1.60 115.26 117.00 1iua n ASN 72 Ca -0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 1iua n ASN 72 Cb 0.28 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1iua n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iua n GLY 73 N 1.23 0.81 3.53 7.41 0.00 0.14 -0.03 105.19 118.28 1iua n GLY 73 Ca 0.16 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1iua n GLY 73 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iua s TRP 74 N 0.42 -0.50 0.26 1.61 -0.00 -0.31 -0.51 118.94 119.90 1iua s TRP 74 Ca 0.00 0.74 -0.07 0.00 -0.00 0.00 0.00 56.10 56.77 1iua s TRP 74 Cb 0.00 0.46 -0.01 0.00 -0.00 0.00 0.00 33.47 33.91 1iua s TRP 74 CO 0.00 -0.52 0.39 0.00 -0.00 0.00 0.00 176.95 176.81 1iua n ALA 76 N -0.40 1.85 1.38 0.00 0.00 0.98 -1.18 120.51 123.15 1iua n ALA 76 Ca -0.00 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1iua n ALA 76 Cb 0.63 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 19.05 1iua n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iua n SER 77 N -1.49 1.17 -4.60 0.00 7.64 -1.26 -4.94 113.62 110.14 1iua n SER 77 Ca 0.05 -1.80 -0.51 0.00 1.01 0.00 0.00 58.87 57.62 1iua n SER 77 Cb 0.21 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1iua n SER 77 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1iua n TRP 78 N 0.06 1.57 -3.85 1.43 -0.00 -0.32 -4.95 117.44 111.38 1iua n TRP 78 Ca 0.12 0.61 -0.18 0.00 -0.00 0.00 0.00 57.50 58.04 1iua n TRP 78 Cb 0.22 -2.35 -0.17 0.00 -0.00 0.00 0.00 31.31 29.01 1iua n TRP 78 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1iua s THR 79 N 0.50 0.13 0.07 5.87 2.01 -1.26 -4.89 115.64 118.07 1iua s THR 79 Ca 0.84 0.16 -0.35 0.00 0.31 0.00 0.00 61.69 62.65 1iua s THR 79 Cb -0.93 -0.27 -0.14 0.00 0.01 0.00 0.00 72.50 71.17 1iua s THR 79 CO 0.46 0.16 1.58 -0.11 -0.69 0.00 0.00 174.62 176.03 1iua n LEU 80 N 4.49 2.74 -4.75 4.42 7.94 -1.26 -0.22 117.00 130.37 1iua n LEU 80 Ca -0.20 1.07 -0.41 0.00 -1.11 0.00 0.00 56.01 55.36 1iua n LEU 80 Cb 0.50 -1.34 -0.02 0.00 0.53 0.00 0.00 43.42 43.09 1iua n LEU 80 CO 0.18 -0.45 1.14 -0.75 -1.11 0.00 0.00 177.39 176.40 1iua s LYS 81 N 1.55 4.23 -0.00 1.96 2.20 -0.47 -4.22 119.74 124.98 1iua s LYS 81 Ca 0.84 2.38 -0.21 0.00 -0.36 0.00 0.00 55.97 58.61 1iua s LYS 81 Cb -0.78 -3.08 -0.20 0.00 -1.51 0.00 0.00 37.83 32.26 1iua s LYS 81 CO 0.44 -0.47 1.16 0.00 -0.36 0.00 0.00 175.35 176.13 1iua h ALA 82 N 4.84 0.11 0.00 3.13 0.00 -1.91 -3.46 119.26 121.97 1iua h ALA 82 Ca -0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1iua h ALA 82 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1iua h ALA 82 CO 0.77 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.60