#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ir0 s LYS 2 N 0.00 2.02 0.12 0.54 -0.14 -1.26 -4.14 119.74 116.88 1ir0 s LYS 2 Ca 0.00 -0.99 0.07 0.00 -1.36 0.00 0.00 55.97 53.69 1ir0 s LYS 2 Cb 0.00 -2.11 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 1ir0 s LYS 2 CO 0.00 0.54 -0.18 0.71 -0.76 0.00 0.00 175.35 175.66 1ir0 s TYR 3 N -0.82 1.64 0.05 3.18 1.51 0.08 -0.63 117.35 122.36 1ir0 s TYR 3 Ca 0.13 -0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 1ir0 s TYR 3 Cb -0.10 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 1ir0 s TYR 3 CO 0.03 0.21 0.10 -0.08 -1.11 0.00 0.00 175.55 174.70 1ir0 s THR 4 N -1.62 0.15 0.02 -0.71 -1.32 -1.26 -1.65 115.64 109.26 1ir0 s THR 4 Ca 0.08 -1.23 -0.28 0.00 -1.21 0.00 0.00 61.69 59.05 1ir0 s THR 4 Cb -0.08 -1.12 0.08 0.00 -1.51 0.00 0.00 72.50 69.87 1ir0 s THR 4 CO 0.04 -0.68 0.72 -0.51 -2.21 0.00 0.00 174.62 171.98 1ir0 s ILE 5 N -3.16 0.00 -0.15 5.08 2.07 -1.08 -4.04 121.20 119.93 1ir0 s ILE 5 Ca -0.00 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.18 1ir0 s ILE 5 Cb 0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 1ir0 s ILE 5 CO -0.07 0.00 0.03 -0.69 -1.91 0.00 0.00 174.94 172.30 1ir0 s VAL 6 N -2.47 4.52 -0.57 4.00 1.01 -1.26 -1.14 120.40 124.49 1ir0 s VAL 6 Ca -0.03 -0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 1ir0 s VAL 6 Cb -0.01 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1ir0 s VAL 6 CO -0.03 0.51 1.28 -0.62 0.00 0.00 0.00 175.10 176.24 1ir0 s ASP 7 N 0.02 6.33 0.55 3.32 3.68 -0.03 -4.85 116.67 125.68 1ir0 s ASP 7 Ca 0.04 0.20 0.32 0.00 2.13 0.00 0.00 52.55 55.24 1ir0 s ASP 7 Cb -0.13 -2.55 1.53 0.00 -1.45 0.00 0.00 42.92 40.33 1ir0 s ASP 7 CO 0.01 -1.57 2.07 0.11 0.13 0.00 0.00 175.17 175.93 1ir0 h LYS 8 N 10.14 0.00 -0.04 4.34 1.79 -1.89 -2.01 116.57 128.90 1ir0 h LYS 8 Ca -0.26 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.05 1ir0 h LYS 8 Cb 1.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1ir0 h LYS 8 CO 1.18 0.08 -0.71 1.49 -1.08 0.00 0.00 179.45 180.41 1ir0 h GLU 9 N 0.00 0.23 0.00 3.15 4.81 -1.99 -3.36 114.58 117.42 1ir0 h GLU 9 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1ir0 h GLU 9 Cb 0.38 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1ir0 h GLU 9 CO 0.01 0.85 -1.31 0.25 -0.73 0.00 0.00 179.01 178.07 1ir0 n THR 10 N -3.79 0.00 -1.73 0.32 -2.24 -1.05 -4.97 114.28 100.83 1ir0 n THR 10 Ca -0.03 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1ir0 n THR 10 Cb 0.69 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 1ir0 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ir0 n ILE 12 N 2.81 1.38 -3.62 0.00 -5.35 -1.26 -5.01 119.36 108.31 1ir0 n ILE 12 Ca 0.12 -1.20 -0.27 0.00 -0.27 0.00 0.00 62.75 61.13 1ir0 n ILE 12 Cb 0.35 0.29 0.03 0.00 -1.74 0.00 0.00 39.64 38.58 1ir0 n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ir0 n ALA 13 N 0.53 -2.59 1.03 -1.28 0.00 -1.26 -4.90 120.51 112.03 1ir0 n ALA 13 Ca 0.17 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1ir0 n ALA 13 Cb 0.61 -3.26 0.02 0.00 0.00 0.00 0.00 19.45 16.82 1ir0 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ir0 n GLY 15 N 1.42 1.56 0.16 0.00 0.00 -1.26 -4.94 105.19 102.13 1ir0 n GLY 15 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1ir0 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir0 h ALA 16 N 0.00 0.19 -0.07 4.61 0.00 -1.94 -3.27 119.26 118.78 1ir0 h ALA 16 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 1ir0 h ALA 16 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ir0 h ALA 16 CO 0.00 0.34 -0.79 0.00 0.00 0.00 0.00 179.25 178.80 1ir0 h GLY 18 N 1.12 0.13 1.14 0.00 0.00 -1.75 -0.15 103.07 103.56 1ir0 h GLY 18 Ca -0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 1ir0 h GLY 18 CO 0.14 0.08 -0.49 0.00 0.00 0.00 0.00 176.54 176.28 1ir0 h ALA 19 N 1.66 0.49 -0.08 3.60 0.00 -1.56 -2.50 119.26 120.87 1ir0 h ALA 19 Ca 0.02 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1ir0 h ALA 19 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ir0 h ALA 19 CO 0.03 0.67 -0.76 0.00 0.00 0.00 0.00 179.25 179.20 1ir0 h ALA 20 N 0.71 0.53 -0.92 0.00 0.00 -1.02 -3.40 119.26 115.17 1ir0 h ALA 20 Ca 0.03 -0.62 -0.37 0.00 0.00 0.00 0.00 54.91 53.95 1ir0 h ALA 20 Cb 1.09 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.58 1ir0 h ALA 20 CO 0.11 0.76 -0.78 0.00 0.00 0.00 0.00 179.25 179.34 1ir0 n ALA 21 N -2.53 0.38 0.32 0.00 0.00 -0.10 -4.77 120.51 113.81 1ir0 n ALA 21 Ca -0.05 -2.32 0.21 0.00 0.00 0.00 0.00 53.44 51.27 1ir0 n ALA 21 Cb 0.72 -1.09 1.04 0.00 0.00 0.00 0.00 19.45 20.12 1ir0 n ALA 21 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ir0 h PRO 22 N 3.78 0.00 -0.05 0.00 0.13 -1.61 -0.17 132.00 134.08 1ir0 h PRO 22 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ir0 h PRO 22 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ir0 h PRO 22 CO 0.37 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.89 1ir0 n ASP 23 N -3.05 0.74 0.00 1.44 9.92 -1.26 -4.18 116.55 120.16 1ir0 n ASP 23 Ca -0.02 -1.42 0.00 0.00 -0.53 0.00 0.00 54.79 52.82 1ir0 n ASP 23 Cb 0.14 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1ir0 n ASP 23 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ir0 n ILE 24 N -0.35 0.00 -5.04 0.53 5.41 -0.20 -4.75 119.36 114.96 1ir0 n ILE 24 Ca 0.18 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.61 1ir0 n ILE 24 Cb 0.20 -1.05 -0.15 0.00 -0.71 0.00 0.00 39.64 37.93 1ir0 n ILE 24 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1ir0 s TYR 25 N -1.99 2.60 0.00 1.39 1.51 -0.46 -0.46 117.35 119.94 1ir0 s TYR 25 Ca 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1ir0 s TYR 25 Cb 0.00 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1ir0 s TYR 25 CO 0.00 -0.07 0.00 -3.47 -1.11 0.00 0.00 175.55 170.90 1ir0 n ASP 26 N 2.82 0.00 -4.15 2.29 -0.08 -0.60 -4.30 116.55 112.53 1ir0 n ASP 26 Ca -0.17 -0.75 -0.27 0.00 -1.51 0.00 0.00 54.79 52.09 1ir0 n ASP 26 Cb 0.52 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.82 1ir0 n ASP 26 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ir0 s TYR 27 N -1.80 1.89 0.28 -0.67 1.51 -1.26 -1.00 117.35 116.31 1ir0 s TYR 27 Ca 0.00 -0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 55.42 1ir0 s TYR 27 Cb 0.00 -1.27 0.07 0.00 -0.11 0.00 0.00 41.96 40.64 1ir0 s TYR 27 CO 0.00 -0.21 0.36 -0.40 -1.11 0.00 0.00 175.55 174.19 1ir0 n ASP 28 N 3.23 -0.20 0.25 2.29 3.85 0.35 -4.78 116.55 121.54 1ir0 n ASP 28 Ca -0.19 -1.06 0.09 0.00 -0.71 0.00 0.00 54.79 52.93 1ir0 n ASP 28 Cb 0.53 -0.28 0.66 0.00 -1.35 0.00 0.00 41.12 40.67 1ir0 n ASP 28 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1ir0 h GLU 29 N 0.00 0.00 0.00 0.11 3.07 -2.01 -0.18 114.58 115.57 1ir0 h GLU 29 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1ir0 h GLU 29 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1ir0 h GLU 29 CO 0.08 0.11 -0.19 -0.25 -1.40 0.00 0.00 179.01 177.36 1ir0 n ASP 30 N -4.09 0.25 0.00 1.42 8.00 -1.26 -4.94 116.55 115.92 1ir0 n ASP 30 Ca -0.02 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1ir0 n ASP 30 Cb 0.19 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1ir0 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ir0 n GLY 31 N 1.48 0.73 3.82 0.44 0.00 -0.08 -5.07 105.19 106.51 1ir0 n GLY 31 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1ir0 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ir0 s ILE 32 N -2.20 4.76 0.63 -0.61 -1.09 -1.26 -4.63 121.20 116.80 1ir0 s ILE 32 Ca 0.00 1.09 -0.17 0.00 -2.23 0.00 0.00 60.65 59.34 1ir0 s ILE 32 Cb 0.00 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1ir0 s ILE 32 CO 0.00 0.42 1.16 0.00 -1.23 0.00 0.00 174.94 175.29 1ir0 s ALA 33 N -1.27 2.45 0.16 9.38 0.00 -1.26 -0.49 121.76 130.74 1ir0 s ALA 33 Ca 0.33 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 1ir0 s ALA 33 Cb -0.18 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.60 1ir0 s ALA 33 CO 0.19 -1.28 0.56 1.52 0.00 0.00 0.00 175.76 176.75 1ir0 s TYR 34 N -1.93 -0.42 -0.30 0.00 1.13 -0.17 -4.82 117.35 110.85 1ir0 s TYR 34 Ca 0.73 0.16 -0.22 0.00 -1.41 0.00 0.00 57.07 56.33 1ir0 s TYR 34 Cb -0.26 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.09 1ir0 s TYR 34 CO 0.37 -0.85 0.71 0.08 -2.51 0.00 0.00 175.55 173.35 1ir0 s VAL 35 N -3.78 4.87 0.05 -3.49 1.01 -1.26 -1.55 120.40 116.25 1ir0 s VAL 35 Ca 0.03 1.08 0.23 0.00 0.00 0.00 0.00 61.98 63.32 1ir0 s VAL 35 Cb -0.01 -4.06 0.22 0.00 0.00 0.00 0.00 36.38 32.53 1ir0 s VAL 35 CO -0.11 -0.16 1.76 0.71 0.00 0.00 0.00 175.10 177.30 1ir0 h THR 36 N 5.54 0.54 -0.44 3.92 1.35 -1.11 -0.65 112.91 122.06 1ir0 h THR 36 Ca -0.25 -1.24 0.09 0.00 -0.55 0.00 0.00 66.41 64.45 1ir0 h THR 36 Cb 1.11 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 69.37 1ir0 h THR 36 CO 0.84 0.24 0.30 -0.07 -0.25 0.00 0.00 175.52 176.58 1ir0 h LEU 37 N 0.00 0.19 -1.87 3.87 3.38 -1.86 -3.30 115.31 115.72 1ir0 h LEU 37 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ir0 h LEU 37 Cb 0.85 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 1ir0 h LEU 37 CO 0.03 0.12 -0.38 -0.90 0.09 0.00 0.00 178.44 177.40 1ir0 n ASP 38 N -4.46 -0.12 -4.08 -0.43 3.85 -1.22 -4.85 116.55 105.24 1ir0 n ASP 38 Ca 0.07 -1.69 -0.30 0.00 -0.71 0.00 0.00 54.79 52.16 1ir0 n ASP 38 Cb 0.36 -0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.10 1ir0 n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1ir0 n ASP 39 N 0.09 -1.64 -1.63 -1.12 4.64 -0.74 -2.08 116.55 114.07 1ir0 n ASP 39 Ca -0.07 -1.01 -0.14 0.00 -1.38 0.00 0.00 54.79 52.18 1ir0 n ASP 39 Cb 0.72 -2.91 -0.01 0.00 -1.04 0.00 0.00 41.12 37.89 1ir0 n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1ir0 n ASN 40 N -2.85 -4.38 0.00 1.67 5.15 -0.33 -4.89 115.26 109.63 1ir0 n ASN 40 Ca -0.14 -0.01 0.11 0.00 -0.60 0.00 0.00 54.58 53.93 1ir0 n ASN 40 Cb 0.60 -3.54 -0.06 0.00 -0.53 0.00 0.00 39.78 36.25 1ir0 n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ir0 n GLN 41 N -2.38 0.15 -3.38 1.20 1.13 -0.89 -4.69 117.38 108.52 1ir0 n GLN 41 Ca -0.17 -0.03 -0.18 0.00 -1.94 0.00 0.00 57.00 54.68 1ir0 n GLN 41 Cb 0.63 -1.52 0.07 0.00 0.11 0.00 0.00 30.24 29.53 1ir0 n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ir0 n GLY 42 N 1.44 -0.33 0.00 1.08 0.00 -1.26 -0.61 105.19 105.52 1ir0 n GLY 42 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ir0 n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ir0 n ILE 43 N -4.30 0.00 -3.72 -0.61 -5.35 -1.26 -0.57 119.36 103.55 1ir0 n ILE 43 Ca -0.11 -0.25 -0.36 0.00 -0.27 0.00 0.00 62.75 61.76 1ir0 n ILE 43 Cb 0.60 0.93 -0.10 0.00 -1.74 0.00 0.00 39.64 39.33 1ir0 n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ir0 s VAL 44 N -0.60 5.19 0.22 7.28 1.01 -1.26 -5.03 120.40 127.21 1ir0 s VAL 44 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.78 1ir0 s VAL 44 Cb 0.00 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.84 1ir0 s VAL 44 CO 0.00 0.36 1.60 1.21 0.00 0.00 0.00 175.10 178.27 1ir0 n GLU 45 N 4.25 2.47 -2.06 2.72 2.13 -1.26 -4.70 120.64 124.19 1ir0 n GLU 45 Ca -0.15 0.89 -0.42 0.00 0.66 0.00 0.00 57.16 58.13 1ir0 n GLU 45 Cb 0.52 -2.67 -0.03 0.00 0.27 0.00 0.00 31.44 29.54 1ir0 n GLU 45 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ir0 s VAL 46 N 0.58 3.24 0.43 6.31 1.01 0.20 -4.93 120.40 127.24 1ir0 s VAL 46 Ca 0.72 0.75 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1ir0 s VAL 46 Cb -0.57 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 1ir0 s VAL 46 CO 0.41 0.02 1.17 -2.65 0.00 0.00 0.00 175.10 174.05 1ir0 n PRO 47 N 5.02 1.67 -0.27 2.72 -0.02 -1.26 -4.78 135.00 138.08 1ir0 n PRO 47 Ca 0.14 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1ir0 n PRO 47 Cb 0.42 -2.26 0.11 0.00 -0.02 0.00 0.00 33.50 31.75 1ir0 n PRO 47 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ir0 h ASP 48 N 1.81 -0.63 0.72 2.55 3.45 -2.01 -0.12 116.42 122.18 1ir0 h ASP 48 Ca -0.47 0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1ir0 h ASP 48 Cb 1.31 0.45 0.00 0.00 -0.56 0.00 0.00 39.33 40.53 1ir0 h ASP 48 CO 0.58 -0.24 0.00 2.30 -1.57 0.00 0.00 179.24 180.31 1ir0 n ILE 49 N -5.47 0.78 0.98 0.35 -5.35 -1.26 -2.38 119.36 107.01 1ir0 n ILE 49 Ca 0.12 0.16 0.11 0.00 -0.27 0.00 0.00 62.75 62.87 1ir0 n ILE 49 Cb 0.42 -0.94 0.01 0.00 -1.74 0.00 0.00 39.64 37.39 1ir0 n ILE 49 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ir0 n LEU 50 N -1.79 2.20 -0.23 7.28 4.77 -0.07 -4.61 117.00 124.55 1ir0 n LEU 50 Ca 0.04 -0.81 -0.04 0.00 -0.03 0.00 0.00 56.01 55.17 1ir0 n LEU 50 Cb 0.23 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1ir0 n LEU 50 CO 0.19 0.40 1.13 0.40 -1.33 0.00 0.00 177.39 178.18 1ir0 h ILE 51 N 2.83 1.12 -0.63 -0.08 1.08 -1.35 -1.18 117.51 119.30 1ir0 h ILE 51 Ca 0.00 -0.29 -0.08 0.00 -0.39 0.00 0.00 64.86 64.10 1ir0 h ILE 51 Cb 0.79 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1ir0 h ILE 51 CO 0.00 0.15 0.08 0.44 -0.69 0.00 0.00 178.15 178.14 1ir0 h ASP 52 N 0.84 1.00 -0.86 1.72 3.45 -1.81 -1.66 116.42 119.10 1ir0 h ASP 52 Ca 0.26 -0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 1ir0 h ASP 52 Cb -0.03 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.44 1ir0 h ASP 52 CO -0.08 1.01 0.45 0.44 -1.57 0.00 0.00 179.24 179.48 1ir0 h ASP 53 N 0.98 1.09 -0.56 6.45 3.45 -1.80 -2.21 116.42 123.81 1ir0 h ASP 53 Ca 0.19 -0.11 0.06 0.00 0.43 0.00 0.00 57.03 57.60 1ir0 h ASP 53 Cb 0.45 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.88 1ir0 h ASP 53 CO 0.01 0.89 0.27 -0.03 -1.57 0.00 0.00 179.24 178.82 1ir0 h MET 54 N 1.20 0.49 -0.56 3.56 4.05 -0.58 -1.44 114.93 121.65 1ir0 h MET 54 Ca 0.30 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.70 1ir0 h MET 54 Cb 0.06 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 1ir0 h MET 54 CO -0.04 0.33 0.37 0.52 0.23 0.00 0.00 176.91 178.31 1ir0 h MET 55 N 0.51 0.73 -0.53 0.39 2.86 -0.80 0.28 114.93 118.36 1ir0 h MET 55 Ca 0.26 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 1ir0 h MET 55 Cb 0.21 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1ir0 h MET 55 CO -0.20 0.48 0.28 -0.44 1.06 0.00 0.00 176.91 178.09 1ir0 h ASP 56 N 0.75 0.42 -0.56 1.22 3.45 -0.93 -1.37 116.42 119.41 1ir0 h ASP 56 Ca 0.21 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.60 1ir0 h ASP 56 Cb -0.07 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1ir0 h ASP 56 CO -0.05 0.29 -0.00 0.00 -1.57 0.00 0.00 179.24 177.90 1ir0 h ALA 57 N 1.27 0.76 0.23 3.45 0.00 -0.84 -1.63 119.26 122.51 1ir0 h ALA 57 Ca 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ir0 h ALA 57 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ir0 h ALA 57 CO -0.15 0.59 -0.11 0.35 0.00 0.00 0.00 179.25 179.93 1ir0 h PHE 58 N 0.88 -0.28 -0.22 0.00 3.57 -0.58 -2.12 116.94 118.18 1ir0 h PHE 58 Ca 0.16 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1ir0 h PHE 58 Cb 0.55 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1ir0 h PHE 58 CO 0.04 -0.17 -0.25 1.05 -2.23 0.00 0.00 178.31 176.75 1ir0 h GLU 59 N -0.31 0.41 -0.00 1.11 4.11 -1.26 -3.15 114.58 115.49 1ir0 h GLU 59 Ca -0.03 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1ir0 h GLU 59 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ir0 h GLU 59 CO 0.05 0.63 -0.08 0.41 0.07 0.00 0.00 179.01 180.09 1ir0 n GLY 60 N -0.44 -1.01 3.65 1.06 0.00 -0.61 -4.79 105.19 103.05 1ir0 n GLY 60 Ca -0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1ir0 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir0 h PRO 62 N 8.11 0.08 -0.14 0.00 0.13 -1.91 -2.99 132.00 135.28 1ir0 h PRO 62 Ca -0.22 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ir0 h PRO 62 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ir0 h PRO 62 CO 1.00 0.51 0.00 0.25 -0.23 0.00 0.00 178.00 179.53 1ir0 n THR 63 N -4.01 0.16 -2.16 1.56 -2.24 -1.26 -4.94 114.28 101.39 1ir0 n THR 63 Ca -0.02 -0.51 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1ir0 n THR 63 Cb 0.48 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1ir0 n THR 63 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ir0 n ASP 64 N 1.07 -5.62 0.16 3.42 10.43 -1.13 -4.88 116.55 119.99 1ir0 n ASP 64 Ca 0.17 0.12 0.01 0.00 2.57 0.00 0.00 54.79 57.66 1ir0 n ASP 64 Cb 0.53 -4.71 0.26 0.00 1.84 0.00 0.00 41.12 39.04 1ir0 n ASP 64 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1ir0 h SER 65 N 0.00 0.00 -3.20 -2.24 0.02 -1.90 -3.42 113.55 102.82 1ir0 h SER 65 Ca -0.46 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.94 1ir0 h SER 65 Cb 1.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 1ir0 h SER 65 CO 0.57 0.50 0.62 -0.63 -1.14 0.00 0.00 176.83 176.75 1ir0 s ILE 66 N -3.81 4.60 0.05 3.27 1.01 -1.26 -0.85 121.20 124.22 1ir0 s ILE 66 Ca -0.02 1.89 0.04 0.00 0.00 0.00 0.00 60.65 62.56 1ir0 s ILE 66 Cb 0.13 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1ir0 s ILE 66 CO 0.74 -0.00 -0.02 -0.54 0.00 0.00 0.00 174.94 175.11 1ir0 s LYS 67 N 2.10 2.57 -0.02 2.79 -0.14 -0.29 -4.94 119.74 121.81 1ir0 s LYS 67 Ca 0.51 -0.78 0.02 0.00 -1.36 0.00 0.00 55.97 54.36 1ir0 s LYS 67 Cb -0.20 -2.54 -0.00 0.00 -1.68 0.00 0.00 37.83 33.40 1ir0 s LYS 67 CO 0.19 0.57 -0.08 0.08 -0.76 0.00 0.00 175.35 175.35 1ir0 s VAL 68 N -1.19 0.70 0.20 3.17 1.01 -1.26 -2.62 120.40 120.40 1ir0 s VAL 68 Ca 0.22 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 1ir0 s VAL 68 Cb -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1ir0 s VAL 68 CO 0.14 0.21 0.41 0.00 0.00 0.00 0.00 175.10 175.86 1ir0 s ALA 69 N 0.06 -0.34 -1.70 5.51 0.00 -0.66 -4.99 121.76 119.63 1ir0 s ALA 69 Ca -0.01 -0.69 0.14 0.00 0.00 0.00 0.00 51.96 51.40 1ir0 s ALA 69 Cb -0.06 0.91 0.45 0.00 0.00 0.00 0.00 23.12 24.42 1ir0 s ALA 69 CO 0.00 -0.75 1.35 -0.25 0.00 0.00 0.00 175.76 176.11 1ir0 n ASP 70 N -0.30 2.88 -3.81 0.00 9.92 -1.26 -0.74 116.55 123.24 1ir0 n ASP 70 Ca -0.07 -2.12 -0.12 0.00 -0.53 0.00 0.00 54.79 51.95 1ir0 n ASP 70 Cb 0.63 -0.38 -0.12 0.00 -0.64 0.00 0.00 41.12 40.60 1ir0 n ASP 70 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1ir0 s GLU 71 N -1.51 0.19 0.61 -1.24 2.12 -1.26 -4.64 118.70 112.97 1ir0 s GLU 71 Ca 0.33 0.23 -0.19 0.00 0.36 0.00 0.00 54.97 55.70 1ir0 s GLU 71 Cb 0.19 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.65 1ir0 s GLU 71 CO 0.20 -0.02 1.28 -2.14 -0.54 0.00 0.00 175.26 174.03 1ir0 s PRO 72 N 0.09 2.79 0.02 4.30 0.02 -1.26 -4.71 135.00 136.25 1ir0 s PRO 72 Ca -0.00 2.03 0.13 0.00 0.02 0.00 0.00 61.00 63.18 1ir0 s PRO 72 Cb -0.01 -1.95 -0.19 0.00 0.02 0.00 0.00 34.50 32.37 1ir0 s PRO 72 CO 0.00 -1.40 0.82 0.74 -0.33 0.00 0.00 177.00 176.83 1ir0 h PHE 73 N 0.83 0.00 -6.80 6.54 -1.00 -1.06 -3.49 116.94 111.96 1ir0 h PHE 73 Ca -0.51 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.71 1ir0 h PHE 73 Cb 1.32 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.80 1ir0 h PHE 73 CO 0.44 0.85 -0.96 -3.47 -1.61 0.00 0.00 178.31 173.56 1ir0 n ASP 74 N -3.05 -1.55 0.00 2.17 4.64 -0.87 -2.03 116.55 115.86 1ir0 n ASP 74 Ca -0.12 -1.19 0.00 0.00 -1.38 0.00 0.00 54.79 52.10 1ir0 n ASP 74 Cb 0.96 -2.19 0.00 0.00 -1.04 0.00 0.00 41.12 38.85 1ir0 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ir0 n GLY 75 N -2.19 1.00 3.11 0.27 0.00 0.22 -5.02 105.19 102.57 1ir0 n GLY 75 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1ir0 n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ir0 s ASP 76 N -2.85 5.11 0.42 1.61 3.68 -0.86 -4.96 116.67 118.82 1ir0 s ASP 76 Ca 0.00 -1.93 0.29 0.00 2.13 0.00 0.00 52.55 53.04 1ir0 s ASP 76 Cb 0.00 -1.77 1.45 0.00 -1.45 0.00 0.00 42.92 41.15 1ir0 s ASP 76 CO 0.00 -0.47 1.89 -0.65 0.13 0.00 0.00 175.17 176.07 1ir0 h PRO 77 N 7.96 0.00 -0.45 4.34 0.11 -1.88 -2.37 132.00 139.71 1ir0 h PRO 77 Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1ir0 h PRO 77 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1ir0 h PRO 77 CO 0.64 0.00 0.01 0.09 -0.21 0.00 0.00 178.00 178.53 1ir0 n ASN 78 N -2.57 4.87 -0.13 -2.05 4.13 -1.26 -4.62 115.26 113.63 1ir0 n ASN 78 Ca -0.01 -3.00 0.11 0.00 1.68 0.00 0.00 54.58 53.36 1ir0 n ASN 78 Cb 0.13 -0.63 0.46 0.00 -1.54 0.00 0.00 39.78 38.20 1ir0 n ASN 78 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1ir0 h LYS 79 N 2.95 0.50 -0.44 3.52 3.64 -1.77 -2.51 116.57 122.46 1ir0 h LYS 79 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ir0 h LYS 79 Cb 1.77 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1ir0 h LYS 79 CO 0.39 0.33 0.00 1.19 -2.27 0.00 0.00 179.45 179.09 1ir0 n PHE 80 N -4.48 0.59 0.38 1.91 3.01 -1.26 -5.18 117.46 112.42 1ir0 n PHE 80 Ca 0.11 -0.47 0.05 0.00 1.01 0.00 0.00 57.45 58.15 1ir0 n PHE 80 Cb 0.36 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 39.85 1ir0 n PHE 80 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92