#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irz n ALA 2 N 0.00 -1.67 -2.48 6.98 0.00 -1.26 -4.78 120.51 117.31 1irz n ALA 2 Ca 0.00 0.52 -0.39 0.00 0.00 0.00 0.00 53.44 53.57 1irz n ALA 2 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 1irz n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1irz s GLN 3 N 1.12 3.48 -0.46 0.00 2.00 -1.26 -4.72 119.66 119.82 1irz s GLN 3 Ca 0.91 -1.16 0.07 0.00 -2.00 0.00 0.00 55.36 53.18 1irz s GLN 3 Cb -1.12 -5.35 0.26 0.00 0.80 0.00 0.00 33.01 27.60 1irz s GLN 3 CO 0.57 -2.44 0.85 1.63 -0.50 0.00 0.00 175.29 175.40 1irz n LYS 4 N 8.78 0.82 -3.67 1.67 5.02 -1.26 -5.09 118.16 124.43 1irz n LYS 4 Ca 0.37 -2.11 -0.39 0.00 -2.02 0.00 0.00 58.31 54.16 1irz n LYS 4 Cb 0.49 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 1irz n LYS 4 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1irz s LYS 5 N 0.14 2.50 -0.03 1.97 2.20 -1.26 -5.06 119.74 120.19 1irz s LYS 5 Ca 0.31 -1.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.16 1irz s LYS 5 Cb 0.24 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1irz s LYS 5 CO -0.18 -0.91 1.09 -1.25 -0.36 0.00 0.00 175.35 173.74 1irz s PRO 6 N 1.37 4.44 0.26 4.03 0.04 -1.26 -4.72 135.00 139.16 1irz s PRO 6 Ca 0.03 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1irz s PRO 6 Cb -0.22 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1irz s PRO 6 CO 0.01 -0.27 0.00 0.54 0.04 0.00 0.00 177.00 177.32 1irz n ARG 7 N 4.58 -3.99 -3.57 4.56 1.74 -1.26 -4.99 116.66 113.73 1irz n ARG 7 Ca 0.09 2.89 -0.29 0.00 -0.77 0.00 0.00 57.85 59.77 1irz n ARG 7 Cb 0.48 -3.14 -0.14 0.00 -1.02 0.00 0.00 32.46 28.64 1irz n ARG 7 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1irz s VAL 8 N -1.49 0.25 -0.14 1.55 1.01 -1.26 -4.95 120.40 115.37 1irz s VAL 8 Ca 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.86 1irz s VAL 8 Cb 0.00 -1.21 -0.16 0.00 0.00 0.00 0.00 36.38 35.02 1irz s VAL 8 CO 0.00 -0.79 -0.00 -0.11 0.00 0.00 0.00 175.10 174.20 1irz n LEU 9 N 4.79 0.74 -2.70 3.92 7.94 -1.26 -4.89 117.00 125.53 1irz n LEU 9 Ca -0.00 -0.02 -0.06 0.00 -1.11 0.00 0.00 56.01 54.81 1irz n LEU 9 Cb 0.40 0.10 0.06 0.00 0.53 0.00 0.00 43.42 44.52 1irz n LEU 9 CO 0.09 0.45 0.41 0.79 -1.11 0.00 0.00 177.39 178.02 1irz n TRP 10 N -2.63 -1.85 -4.18 1.96 5.03 -1.26 -5.03 117.44 109.48 1irz n TRP 10 Ca -0.24 -1.18 -0.27 0.00 3.03 0.00 0.00 57.50 58.84 1irz n TRP 10 Cb 0.92 1.31 -0.05 0.00 -1.03 0.00 0.00 31.31 32.45 1irz n TRP 10 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1irz s THR 11 N 0.40 1.89 0.54 -0.99 -4.23 -1.26 -4.94 115.64 107.04 1irz s THR 11 Ca 0.29 -1.70 0.33 0.00 -1.18 0.00 0.00 61.69 59.43 1irz s THR 11 Cb 0.21 -2.58 0.51 0.00 1.34 0.00 0.00 72.50 71.98 1irz s THR 11 CO -0.16 0.00 1.86 0.45 -0.54 0.00 0.00 174.62 176.23 1irz h HIS 12 N 1.21 0.02 0.10 3.99 3.86 -2.02 0.11 115.15 122.42 1irz h HIS 12 Ca -0.41 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1irz h HIS 12 Cb 1.28 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1irz h HIS 12 CO 0.91 0.00 -0.05 1.49 0.86 0.00 0.00 177.93 181.15 1irz h GLU 13 N 0.01 -0.13 0.00 2.45 4.57 -2.01 -2.49 114.58 116.98 1irz h GLU 13 Ca 0.48 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 1irz h GLU 13 Cb 1.91 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.53 1irz h GLU 13 CO -0.01 0.23 0.00 -0.07 -1.18 0.00 0.00 179.01 177.98 1irz h LEU 14 N -0.50 0.00 0.00 1.64 3.38 -1.21 -1.66 115.31 116.95 1irz h LEU 14 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1irz h LEU 14 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1irz h LEU 14 CO 0.02 0.00 -0.30 -0.74 0.09 0.00 0.00 178.44 177.51 1irz h HIS 15 N 0.00 0.00 0.05 1.13 2.76 -0.84 -2.87 115.15 115.39 1irz h HIS 15 Ca 0.00 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.94 1irz h HIS 15 Cb 0.23 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 1irz h HIS 15 CO 0.00 0.22 -1.07 -0.91 -1.30 0.00 0.00 177.93 174.87 1irz h ASN 16 N 0.00 0.18 0.56 3.26 -0.26 -0.86 -2.03 115.58 116.42 1irz h ASN 16 Ca -0.01 -0.19 -0.29 0.00 -0.56 0.00 0.00 56.30 55.26 1irz h ASN 16 Cb 1.17 -0.06 0.01 0.00 -1.06 0.00 0.00 38.32 38.38 1irz h ASN 16 CO 0.03 1.12 -1.31 0.11 -1.06 0.00 0.00 177.43 176.32 1irz h LYS 17 N 0.04 0.32 0.00 0.81 1.57 -1.59 -2.50 116.57 115.21 1irz h LYS 17 Ca -0.06 -0.54 -0.06 0.00 -1.87 0.00 0.00 60.65 58.12 1irz h LYS 17 Cb 1.80 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 1irz h LYS 17 CO 0.16 1.25 -0.29 0.35 -0.57 0.00 0.00 179.45 180.35 1irz h PHE 18 N 0.09 0.00 0.13 -1.35 3.57 -1.58 -2.37 116.94 115.42 1irz h PHE 18 Ca -0.16 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.04 1irz h PHE 18 Cb 2.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.75 1irz h PHE 18 CO 0.07 0.29 -1.46 -0.07 -2.23 0.00 0.00 178.31 174.91 1irz h LEU 19 N 0.00 0.42 -0.40 0.59 3.38 -1.40 -2.87 115.31 115.04 1irz h LEU 19 Ca -0.00 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 1irz h LEU 19 Cb 1.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1irz h LEU 19 CO 0.04 1.44 -0.57 0.00 0.09 0.00 0.00 178.44 179.44 1irz h ALA 20 N 0.50 0.75 -0.05 1.53 0.00 -1.45 -1.84 119.26 118.69 1irz h ALA 20 Ca -0.22 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 1irz h ALA 20 Cb 2.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.73 1irz h ALA 20 CO 0.18 0.71 -0.81 0.00 0.00 0.00 0.00 179.25 179.33 1irz h ALA 21 N 1.43 0.16 -0.11 0.00 0.00 -1.50 -1.18 119.26 118.05 1irz h ALA 21 Ca -0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1irz h ALA 21 Cb 1.27 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1irz h ALA 21 CO 0.07 0.56 -0.03 0.28 0.00 0.00 0.00 179.25 180.14 1irz h VAL 22 N 0.27 1.29 -0.82 0.00 2.07 -1.50 -2.87 116.25 114.69 1irz h VAL 22 Ca -0.09 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1irz h VAL 22 Cb 1.47 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 1irz h VAL 22 CO 0.16 0.27 0.54 -0.78 0.02 0.00 0.00 177.57 177.78 1irz h ASP 23 N -0.10 0.92 -0.04 0.57 1.82 -1.39 0.46 116.42 118.66 1irz h ASP 23 Ca 0.03 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1irz h ASP 23 Cb 0.44 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 1irz h ASP 23 CO 0.01 0.66 0.06 -0.74 -1.61 0.00 0.00 179.24 177.62 1irz h HIS 24 N 1.09 0.00 -0.00 0.28 2.76 -1.08 -1.24 115.15 116.95 1irz h HIS 24 Ca 0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1irz h HIS 24 Cb -0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1irz h HIS 24 CO -0.02 0.00 -0.43 1.28 -1.30 0.00 0.00 177.93 177.46 1irz n LEU 25 N -3.63 0.97 -1.02 0.26 4.77 -0.22 -5.07 117.00 113.05 1irz n LEU 25 Ca -0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1irz n LEU 25 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1irz n LEU 25 CO 0.25 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1irz n GLY 26 N 1.16 -2.78 0.35 -0.72 0.00 0.14 -3.67 105.19 99.67 1irz n GLY 26 Ca 0.04 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.63 1irz n GLY 26 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1irz h VAL 27 N 0.00 0.05 -0.15 1.61 3.04 -1.84 0.77 116.25 119.73 1irz h VAL 27 Ca 0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.50 1irz h VAL 27 Cb 0.00 0.55 0.01 0.00 -2.01 0.00 0.00 31.29 29.84 1irz h VAL 27 CO 0.00 0.00 -0.66 -0.08 -1.01 0.00 0.00 177.57 175.82 1irz h GLU 28 N 0.00 0.72 -0.12 4.17 4.81 -1.91 -3.31 114.58 118.93 1irz h GLU 28 Ca 0.04 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1irz h GLU 28 Cb 0.97 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1irz h GLU 28 CO -0.00 1.18 0.00 0.54 -0.73 0.00 0.00 179.01 180.00 1irz n ARG 29 N -4.05 2.48 -3.36 1.92 1.74 0.44 -5.00 116.66 110.84 1irz n ARG 29 Ca -0.07 -2.18 -0.38 0.00 -0.77 0.00 0.00 57.85 54.45 1irz n ARG 29 Cb 0.69 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.70 1irz n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1irz s ALA 30 N -1.88 3.52 0.26 7.54 0.00 0.24 -4.90 121.76 126.55 1irz s ALA 30 Ca 0.22 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.07 1irz s ALA 30 Cb 0.17 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1irz s ALA 30 CO 0.06 0.10 0.08 0.14 0.00 0.00 0.00 175.76 176.13 1irz s VAL 31 N 0.27 3.79 -0.04 0.00 -7.23 -1.26 -4.89 120.40 111.04 1irz s VAL 31 Ca 0.25 -1.72 0.16 0.00 -1.81 0.00 0.00 61.98 58.86 1irz s VAL 31 Cb -0.15 -3.05 0.08 0.00 0.56 0.00 0.00 36.38 33.81 1irz s VAL 31 CO 0.11 -0.36 1.54 1.55 -0.31 0.00 0.00 175.10 177.62 1irz h PRO 32 N 1.73 0.00 0.17 4.82 0.13 -1.97 -2.62 132.00 134.26 1irz h PRO 32 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1irz h PRO 32 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1irz h PRO 32 CO 0.61 0.48 -0.08 -0.22 -0.23 0.00 0.00 178.00 178.55 1irz h LYS 33 N 0.00 -0.22 -0.58 0.86 3.11 -1.95 -0.21 116.57 117.57 1irz h LYS 33 Ca -0.00 0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.75 1irz h LYS 33 Cb 1.24 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.50 1irz h LYS 33 CO 0.06 0.15 -0.02 0.87 -2.81 0.00 0.00 179.45 177.71 1irz h LYS 34 N -0.65 1.03 0.00 1.90 1.79 -1.99 -2.05 116.57 116.59 1irz h LYS 34 Ca -0.02 -0.33 -0.04 0.00 -2.18 0.00 0.00 60.65 58.07 1irz h LYS 34 Cb 0.48 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1irz h LYS 34 CO 0.04 1.02 -0.20 0.82 -1.08 0.00 0.00 179.45 180.05 1irz h ILE 35 N 0.94 0.82 -0.90 1.86 2.04 -1.46 -1.57 117.51 119.25 1irz h ILE 35 Ca 0.17 -0.79 0.18 0.00 1.00 0.00 0.00 64.86 65.42 1irz h ILE 35 Cb 0.57 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 1irz h ILE 35 CO 0.03 0.20 0.58 0.25 0.00 0.00 0.00 178.15 179.21 1irz h LEU 36 N 0.00 0.52 -0.51 1.44 5.85 -0.27 0.68 115.31 123.03 1irz h LEU 36 Ca -0.00 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 1irz h LEU 36 Cb 0.45 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1irz h LEU 36 CO 0.03 0.23 -0.64 0.44 -0.34 0.00 0.00 178.44 178.16 1irz h ASP 37 N 0.53 0.47 -0.81 1.25 5.19 -1.35 -2.31 116.42 119.39 1irz h ASP 37 Ca 0.47 -0.28 0.07 0.00 -0.62 0.00 0.00 57.03 56.67 1irz h ASP 37 Cb 0.97 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.29 1irz h ASP 37 CO -0.20 0.99 0.53 -0.07 -3.12 0.00 0.00 179.24 177.36 1irz h LEU 38 N 0.30 0.75 0.05 1.55 3.38 0.41 -2.80 115.31 118.95 1irz h LEU 38 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1irz h LEU 38 Cb 1.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1irz h LEU 38 CO 0.11 0.48 -0.02 0.24 0.09 0.00 0.00 178.44 179.33 1irz h MET 39 N 0.85 -0.06 -2.57 1.13 2.86 -1.10 -3.46 114.93 112.58 1irz h MET 39 Ca 0.36 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.76 1irz h MET 39 Cb 0.29 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 1irz h MET 39 CO -0.13 0.56 -0.26 -1.71 1.06 0.00 0.00 176.91 176.43 1irz n ASN 40 N -4.76 -3.42 -4.84 1.22 4.05 -0.89 -4.90 115.26 101.73 1irz n ASN 40 Ca -0.08 0.25 -0.32 0.00 0.45 0.00 0.00 54.58 54.88 1irz n ASN 40 Cb 0.32 -3.08 -0.04 0.00 1.23 0.00 0.00 39.78 38.20 1irz n ASN 40 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1irz s VAL 41 N -2.27 4.49 0.12 3.44 1.01 -1.26 -5.04 120.40 120.88 1irz s VAL 41 Ca 0.00 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 1irz s VAL 41 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 1irz s VAL 41 CO 0.00 -0.59 0.55 1.51 0.00 0.00 0.00 175.10 176.57 1irz s ASP 42 N -2.84 6.90 0.00 3.32 -4.77 -1.26 -3.77 116.67 114.26 1irz s ASP 42 Ca 0.60 1.14 0.00 0.00 -3.30 0.00 0.00 52.55 50.98 1irz s ASP 42 Cb -0.10 -2.31 0.00 0.00 -1.09 0.00 0.00 42.92 39.42 1irz s ASP 42 CO 0.27 0.17 0.00 2.29 0.70 0.00 0.00 175.17 178.59 1irz n LYS 43 N 1.14 0.00 -3.41 2.11 2.85 -1.26 -5.01 118.16 114.59 1irz n LYS 43 Ca -0.07 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.83 1irz n LYS 43 Cb 0.51 -1.55 -0.06 0.00 -0.65 0.00 0.00 35.03 33.29 1irz n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1irz s LEU 44 N 0.00 4.39 0.33 -5.58 1.43 -1.25 -5.09 118.68 112.91 1irz s LEU 44 Ca 0.00 1.03 0.10 0.00 -1.03 0.00 0.00 54.13 54.23 1irz s LEU 44 Cb 0.00 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 1irz s LEU 44 CO 0.00 0.18 -0.07 0.42 0.23 0.00 0.00 176.35 177.10 1irz s THR 45 N -1.34 2.48 -0.18 5.49 -4.23 -1.26 -4.96 115.64 111.64 1irz s THR 45 Ca 0.33 -2.15 0.29 0.00 -1.18 0.00 0.00 61.69 58.98 1irz s THR 45 Cb -0.16 -2.64 0.35 0.00 1.34 0.00 0.00 72.50 71.39 1irz s THR 45 CO 0.18 -0.25 1.83 -0.09 -0.54 0.00 0.00 174.62 175.75 1irz h ARG 46 N 1.99 0.00 0.00 3.99 2.43 -1.98 -2.84 114.38 117.97 1irz h ARG 46 Ca -0.42 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.66 1irz h ARG 46 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1irz h ARG 46 CO 0.67 0.00 -0.42 1.49 -1.51 0.00 0.00 179.97 180.20 1irz h GLU 47 N 0.00 0.00 -0.16 0.20 4.81 -1.96 -0.51 114.58 116.96 1irz h GLU 47 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1irz h GLU 47 Cb 0.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1irz h GLU 47 CO 0.00 0.42 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.52 1irz h ASN 48 N 0.00 0.52 1.19 1.04 -0.26 -1.91 -1.41 115.58 114.75 1irz h ASN 48 Ca -0.00 -0.54 -0.14 0.00 -0.56 0.00 0.00 56.30 55.06 1irz h ASN 48 Cb 1.23 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.32 1irz h ASN 48 CO 0.05 0.96 -0.85 0.58 -1.06 0.00 0.00 177.43 177.11 1irz h VAL 49 N 0.10 0.84 0.00 2.81 2.07 -1.61 -3.20 116.25 117.25 1irz h VAL 49 Ca 0.01 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1irz h VAL 49 Cb 0.86 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1irz h VAL 49 CO 0.06 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.13 1irz h ALA 50 N 1.42 1.00 -0.02 1.67 0.00 -1.08 -3.06 119.26 119.19 1irz h ALA 50 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1irz h ALA 50 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1irz h ALA 50 CO 0.07 0.00 -0.18 0.77 0.00 0.00 0.00 179.25 179.91 1irz h SER 51 N 0.00 0.19 -0.71 0.00 0.02 -1.25 -2.40 113.55 109.40 1irz h SER 51 Ca 0.00 -0.71 -0.00 0.00 -0.84 0.00 0.00 61.79 60.23 1irz h SER 51 Cb 0.78 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 1irz h SER 51 CO 0.00 0.87 0.43 -0.74 -1.14 0.00 0.00 176.83 176.26 1irz h HIS 52 N -0.49 0.93 -0.46 3.45 6.17 -1.62 -0.47 115.15 122.66 1irz h HIS 52 Ca -0.02 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.02 1irz h HIS 52 Cb 0.88 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 30.49 1irz h HIS 52 CO 0.16 0.62 0.10 1.25 0.71 0.00 0.00 177.93 180.78 1irz h LEU 53 N 0.98 0.71 -1.36 0.26 5.85 -1.55 -2.21 115.31 117.99 1irz h LEU 53 Ca 0.26 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1irz h LEU 53 Cb -0.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1irz h LEU 53 CO -0.05 0.76 -0.25 1.56 -0.34 0.00 0.00 178.44 180.12 1irz h GLN 54 N 0.62 0.00 0.00 1.25 4.20 -0.87 -2.46 115.11 117.85 1irz h GLN 54 Ca 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 1irz h GLN 54 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1irz h GLN 54 CO 0.00 0.25 -0.56 0.87 -0.67 0.00 0.00 178.83 178.72 1irz h LYS 55 N 0.00 0.00 -0.09 1.46 1.57 -0.52 -2.99 116.57 116.00 1irz h LYS 55 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1irz h LYS 55 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1irz h LYS 55 CO 0.03 0.56 -0.04 0.35 -0.57 0.00 0.00 179.45 179.78 1irz h PHE 56 N 0.00 0.22 -0.93 -1.35 3.57 -0.96 -1.25 116.94 116.23 1irz h PHE 56 Ca -0.01 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.58 1irz h PHE 56 Cb 1.03 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.64 1irz h PHE 56 CO 0.00 0.54 0.59 0.00 -2.23 0.00 0.00 178.31 177.21 1irz h ARG 57 N -0.17 0.77 -0.77 1.11 -0.00 -1.52 0.55 114.38 114.36 1irz h ARG 57 Ca 0.02 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.98 59.40 1irz h ARG 57 Cb 0.48 -0.17 -0.03 0.00 0.00 0.00 0.00 29.97 30.24 1irz h ARG 57 CO 0.01 0.51 0.26 0.28 0.00 0.00 0.00 179.97 181.03 1irz h VAL 58 N 0.79 1.26 0.00 2.04 2.07 -1.33 0.11 116.25 121.19 1irz h VAL 58 Ca 0.47 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1irz h VAL 58 Cb 0.65 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1irz h VAL 58 CO -0.23 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1irz n ALA 59 N -2.44 1.78 0.06 1.67 0.00 0.15 -2.17 120.51 119.56 1irz n ALA 59 Ca 0.06 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1irz n ALA 59 Cb 0.22 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 1irz n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1irz n LEU 60 N -2.22 0.61 -0.03 0.00 4.77 0.10 -3.83 117.00 116.40 1irz n LEU 60 Ca 0.03 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1irz n LEU 60 Cb 0.27 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1irz n LEU 60 CO 0.22 -0.09 -0.11 0.50 -1.33 0.00 0.00 177.39 176.57 1irz h LYS 61 N 0.00 0.00 -2.64 3.23 3.64 -0.39 -3.40 116.57 117.00 1irz h LYS 61 Ca -0.03 0.00 -0.77 0.00 -1.27 0.00 0.00 60.65 58.58 1irz h LYS 61 Cb 1.09 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.72 1irz h LYS 61 CO 0.01 0.00 1.78 1.63 -2.27 0.00 0.00 179.45 180.59 1irz n LYS 62 N -3.14 4.73 -0.35 1.90 5.02 -0.92 -5.00 118.16 120.40 1irz n LYS 62 Ca -0.02 -3.96 -0.27 0.00 -2.02 0.00 0.00 58.31 52.04 1irz n LYS 62 Cb 0.08 -2.61 0.25 0.00 -0.02 0.00 0.00 35.03 32.74 1irz n LYS 62 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1irz n VAL 63 N 1.33 0.00 1.31 -0.18 0.24 -1.25 -4.86 118.33 114.92 1irz n VAL 63 Ca 0.51 -0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.83 1irz n VAL 63 Cb 0.27 -0.86 0.37 0.00 -1.47 0.00 0.00 33.84 32.15 1irz n VAL 63 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49