#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irz s ALA 2 N 0.00 0.97 -0.58 6.98 0.00 -1.26 -4.92 121.76 122.95 1irz s ALA 2 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 1irz s ALA 2 Cb 0.00 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.22 1irz s ALA 2 CO 0.00 -3.19 1.23 -0.65 0.00 0.00 0.00 175.76 173.15 1irz s GLN 3 N -5.37 3.47 -0.37 0.00 -1.52 -1.26 -4.77 119.66 109.84 1irz s GLN 3 Ca 0.70 0.27 0.04 0.00 -1.95 0.00 0.00 55.36 54.41 1irz s GLN 3 Cb -0.11 -4.04 0.31 0.00 -0.22 0.00 0.00 33.01 28.95 1irz s GLN 3 CO 0.56 -1.74 1.28 0.36 -0.25 0.00 0.00 175.29 175.50 1irz n LYS 4 N 8.52 0.41 -2.74 2.91 2.85 -1.26 -5.07 118.16 123.78 1irz n LYS 4 Ca 0.09 -1.08 -0.04 0.00 -1.05 0.00 0.00 58.31 56.23 1irz n LYS 4 Cb 0.49 -0.46 -0.04 0.00 -0.65 0.00 0.00 35.03 34.37 1irz n LYS 4 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1irz n LYS 5 N 0.65 -3.72 -2.58 -1.58 5.02 -1.26 -4.84 118.16 109.85 1irz n LYS 5 Ca -0.01 2.87 -0.43 0.00 -2.02 0.00 0.00 58.31 58.72 1irz n LYS 5 Cb 0.73 -3.95 -0.02 0.00 -0.02 0.00 0.00 35.03 31.77 1irz n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1irz s PRO 6 N -0.51 3.92 -1.27 1.97 0.04 -1.26 -4.15 135.00 133.73 1irz s PRO 6 Ca -0.21 0.94 -0.16 0.00 0.04 0.00 0.00 61.00 61.61 1irz s PRO 6 Cb 0.01 -3.82 0.02 0.00 0.04 0.00 0.00 34.50 30.75 1irz s PRO 6 CO 0.59 -1.11 0.30 2.89 0.04 0.00 0.00 177.00 179.71 1irz n ARG 7 N 7.29 -0.61 -2.65 4.56 1.85 -1.26 -4.77 116.66 121.07 1irz n ARG 7 Ca 0.13 0.04 -0.43 0.00 -1.00 0.00 0.00 57.85 56.59 1irz n ARG 7 Cb 0.48 -2.72 -0.01 0.00 -1.05 0.00 0.00 32.46 29.16 1irz n ARG 7 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1irz s VAL 8 N -3.97 4.23 -0.12 8.89 1.01 -1.26 -4.56 120.40 124.63 1irz s VAL 8 Ca 0.22 -1.66 0.11 0.00 0.00 0.00 0.00 61.98 60.66 1irz s VAL 8 Cb -0.13 -5.09 -0.16 0.00 0.00 0.00 0.00 36.38 31.01 1irz s VAL 8 CO 0.91 -1.91 0.06 -0.11 0.00 0.00 0.00 175.10 174.05 1irz n LEU 9 N 8.02 0.00 -2.67 3.92 7.94 -1.26 -4.90 117.00 128.05 1irz n LEU 9 Ca 0.41 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.26 1irz n LEU 9 Cb 0.47 0.28 0.07 0.00 0.53 0.00 0.00 43.42 44.78 1irz n LEU 9 CO 0.70 0.28 0.58 0.79 -1.11 0.00 0.00 177.39 178.64 1irz n TRP 10 N -2.42 -0.62 -4.09 1.96 5.03 -1.26 -5.03 117.44 111.01 1irz n TRP 10 Ca -0.19 -0.73 -0.27 0.00 3.03 0.00 0.00 57.50 59.34 1irz n TRP 10 Cb 0.86 1.11 -0.04 0.00 -1.03 0.00 0.00 31.31 32.21 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 0.13 1.84 0.63 -0.99 -4.23 -1.26 -4.92 115.64 106.84 1irz s THR 11 Ca 0.26 -1.63 0.25 0.00 -1.18 0.00 0.00 61.69 59.39 1irz s THR 11 Cb 0.21 -2.46 0.29 0.00 1.34 0.00 0.00 72.50 71.87 1irz s THR 11 CO -0.09 0.00 1.71 -0.74 -0.54 0.00 0.00 174.62 174.96 1irz h HIS 12 N 1.07 0.00 0.05 3.99 2.76 -2.02 0.43 115.15 121.43 1irz h HIS 12 Ca -0.40 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1irz h HIS 12 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1irz h HIS 12 CO 0.94 0.00 -0.02 1.49 -1.30 0.00 0.00 177.93 179.03 1irz h GLU 13 N 0.00 -0.07 0.00 5.26 4.22 -2.01 -3.12 114.58 118.86 1irz h GLU 13 Ca 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.57 1irz h GLU 13 Cb 1.27 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1irz h GLU 13 CO -0.00 0.50 -0.00 -0.07 -2.18 0.00 0.00 179.01 177.26 1irz h LEU 14 N -0.93 0.00 -0.18 1.64 3.38 -1.34 -1.04 115.31 116.84 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 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1irz h LEU 14 CO 0.01 0.00 -0.24 -0.74 0.09 0.00 0.00 178.44 177.56 1irz h HIS 15 N 0.00 0.00 -0.10 1.13 2.76 -1.19 -2.57 115.15 115.18 1irz h HIS 15 Ca -0.00 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 1irz h HIS 15 Cb 0.14 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.11 1irz h HIS 15 CO 0.00 0.24 -0.87 -0.91 -1.30 0.00 0.00 177.93 175.09 1irz h ASN 16 N 0.00 0.90 -0.04 3.26 4.21 -1.12 -1.18 115.58 121.62 1irz h ASN 16 Ca -0.00 -0.64 -0.23 0.00 1.21 0.00 0.00 56.30 56.64 1irz h ASN 16 Cb 1.12 -0.27 0.02 0.00 -1.12 0.00 0.00 38.32 38.07 1irz h ASN 16 CO 0.03 1.44 -0.88 0.11 -1.29 0.00 0.00 177.43 176.84 1irz h LYS 17 N 0.48 0.66 0.00 0.81 1.57 -1.59 -2.57 116.57 115.92 1irz h LYS 17 Ca -0.08 -0.66 -0.02 0.00 -1.87 0.00 0.00 60.65 58.02 1irz h LYS 17 Cb 1.50 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 1irz h LYS 17 CO 0.17 1.26 -0.10 0.35 -0.57 0.00 0.00 179.45 180.56 1irz h PHE 18 N 0.31 0.00 0.14 -1.35 3.04 -1.51 -1.10 116.94 116.47 1irz h PHE 18 Ca -0.10 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.65 1irz h PHE 18 Cb 1.54 0.00 0.02 0.00 2.56 0.00 0.00 35.95 40.07 1irz h PHE 18 CO 0.11 0.10 -0.93 -0.07 -2.02 0.00 0.00 178.31 175.50 1irz h LEU 19 N 0.00 0.46 -0.82 0.59 3.38 -1.13 -2.65 115.31 115.14 1irz h LEU 19 Ca -0.00 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.02 1irz h LEU 19 Cb 0.54 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1irz h LEU 19 CO 0.01 1.44 -0.07 0.00 0.09 0.00 0.00 178.44 179.91 1irz h ALA 20 N 0.06 0.98 0.06 1.53 0.00 -1.38 -2.49 119.26 118.02 1irz h ALA 20 Ca -0.17 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1irz h ALA 20 Cb 1.67 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.47 1irz h ALA 20 CO 0.14 0.09 -0.78 0.00 0.00 0.00 0.00 179.25 178.70 1irz h ALA 21 N 1.93 0.02 -0.45 0.00 0.00 -1.26 -2.57 119.26 116.93 1irz h ALA 21 Ca -0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1irz h ALA 21 Cb 0.77 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1irz h ALA 21 CO 0.01 0.42 0.11 0.28 0.00 0.00 0.00 179.25 180.07 1irz h VAL 22 N -0.10 1.24 -0.71 0.00 2.07 -1.41 -2.66 116.25 114.67 1irz h VAL 22 Ca -0.11 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1irz h VAL 22 Cb 1.51 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1irz h VAL 22 CO 0.15 0.29 0.43 -0.78 0.02 0.00 0.00 177.57 177.68 1irz h ASP 23 N 0.60 0.69 0.17 0.57 1.82 -1.51 0.63 116.42 119.38 1irz h ASP 23 Ca 0.14 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1irz h ASP 23 Cb 0.33 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.20 1irz h ASP 23 CO 0.00 0.46 -0.03 -0.74 -1.61 0.00 0.00 179.24 177.32 1irz h HIS 24 N 0.82 0.00 -0.01 0.28 2.76 -1.12 -2.20 115.15 115.68 1irz h HIS 24 Ca 0.30 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1irz h HIS 24 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1irz h HIS 24 CO -0.05 0.03 -0.10 1.28 -1.30 0.00 0.00 177.93 177.79 1irz n LEU 25 N -3.50 1.56 -1.02 0.26 4.77 -0.15 -5.07 117.00 113.85 1irz n LEU 25 Ca -0.02 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1irz n LEU 25 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1irz n LEU 25 CO 0.26 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1irz n GLY 26 N 0.75 -2.66 0.29 -0.72 0.00 0.20 -4.01 105.19 99.04 1irz n GLY 26 Ca 0.05 -0.57 0.13 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 0.00 -0.17 1.61 3.04 -1.82 0.53 116.25 119.44 1irz h VAL 27 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1irz h VAL 27 Cb 0.00 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1irz h VAL 27 CO 0.00 0.00 0.01 -0.33 -1.01 0.00 0.00 177.57 176.24 1irz h GLU 28 N 0.00 0.30 -0.10 4.17 5.08 -1.90 -3.28 114.58 118.85 1irz h GLU 28 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1irz h GLU 28 Cb 0.63 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1irz h GLU 28 CO 0.00 0.50 0.00 0.54 -1.00 0.00 0.00 179.01 179.05 1irz n ARG 29 N -4.74 2.52 -1.81 2.33 1.74 -0.35 -5.01 116.66 111.34 1irz n ARG 29 Ca -0.05 -2.06 -0.42 0.00 -0.77 0.00 0.00 57.85 54.55 1irz n ARG 29 Cb 0.21 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.72 3.53 0.25 7.54 0.00 0.17 -4.96 121.76 126.58 1irz s ALA 30 Ca 0.18 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1irz s ALA 30 Cb 0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1irz s ALA 30 CO 0.05 -1.59 0.21 0.14 0.00 0.00 0.00 175.76 174.56 1irz s VAL 31 N 4.55 4.50 -0.06 0.00 -7.23 -1.26 -4.97 120.40 115.92 1irz s VAL 31 Ca 0.83 -1.38 0.19 0.00 -1.81 0.00 0.00 61.98 59.81 1irz s VAL 31 Cb -0.38 -3.43 0.16 0.00 0.56 0.00 0.00 36.38 33.28 1irz s VAL 31 CO 0.36 -0.35 1.61 1.55 -0.31 0.00 0.00 175.10 177.97 1irz h PRO 32 N 1.48 0.00 -0.22 4.82 0.13 -1.90 -2.75 132.00 133.55 1irz h PRO 32 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1irz h PRO 32 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1irz h PRO 32 CO 0.61 0.35 -0.26 -0.22 -0.23 0.00 0.00 178.00 178.24 1irz h LYS 33 N 0.00 0.57 -0.12 0.86 3.11 -1.95 0.72 116.57 119.76 1irz h LYS 33 Ca -0.00 -0.32 -0.06 0.00 -2.81 0.00 0.00 60.65 57.45 1irz h LYS 33 Cb 1.09 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1irz h LYS 33 CO 0.05 0.92 -0.17 0.87 -2.81 0.00 0.00 179.45 178.30 1irz h LYS 34 N 0.27 0.34 0.00 1.90 1.79 -1.98 -2.75 116.57 116.14 1irz h LYS 34 Ca 0.03 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 1irz h LYS 34 Cb 0.83 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1irz h LYS 34 CO 0.06 0.77 -0.13 0.82 -1.08 0.00 0.00 179.45 179.89 1irz h ILE 35 N -0.07 0.67 -0.88 1.86 2.04 -1.52 -0.91 117.51 118.70 1irz h ILE 35 Ca 0.01 -0.56 0.20 0.00 1.00 0.00 0.00 64.86 65.51 1irz h ILE 35 Cb 0.73 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1irz h ILE 35 CO 0.04 0.13 0.58 0.25 0.00 0.00 0.00 178.15 179.16 1irz h LEU 36 N 0.00 0.38 -0.20 1.44 5.85 -0.53 0.81 115.31 123.06 1irz h LEU 36 Ca -0.00 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.54 1irz h LEU 36 Cb 0.34 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1irz h LEU 36 CO 0.02 0.16 -0.93 0.44 -0.34 0.00 0.00 178.44 177.79 1irz h ASP 37 N 0.38 0.43 -0.52 1.25 5.19 -1.22 -1.79 116.42 120.15 1irz h ASP 37 Ca 0.45 -0.35 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1irz h ASP 37 Cb 1.15 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.50 1irz h ASP 37 CO -0.16 1.15 0.35 -0.07 -3.12 0.00 0.00 179.24 177.39 1irz h LEU 38 N 0.18 0.42 0.05 1.55 3.38 0.69 -2.90 115.31 118.67 1irz h LEU 38 Ca -0.07 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1irz h LEU 38 Cb 1.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 1irz h LEU 38 CO 0.15 0.27 -1.08 0.24 0.09 0.00 0.00 178.44 178.12 1irz h MET 39 N 0.48 0.10 -2.34 1.13 2.86 -1.09 -3.47 114.93 112.59 1irz h MET 39 Ca 0.22 -0.17 -0.25 0.00 -2.06 0.00 0.00 59.70 57.44 1irz h MET 39 Cb 0.28 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.93 1irz h MET 39 CO -0.06 1.08 -0.27 -1.71 1.06 0.00 0.00 176.91 177.01 1irz n ASN 40 N -4.25 -3.53 -4.84 1.22 5.15 -0.68 -4.90 115.26 103.42 1irz n ASN 40 Ca -0.25 0.26 -0.32 0.00 -0.60 0.00 0.00 54.58 53.68 1irz n ASN 40 Cb 0.73 -3.19 0.01 0.00 -0.53 0.00 0.00 39.78 36.80 1irz n ASN 40 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1irz s VAL 41 N -2.27 4.37 0.23 3.44 1.01 -1.26 -5.03 120.40 120.89 1irz s VAL 41 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 1irz s VAL 41 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1irz s VAL 41 CO 0.00 -0.87 0.78 1.51 0.00 0.00 0.00 175.10 176.52 1irz s ASP 42 N -3.60 7.19 0.00 3.32 1.47 -1.26 -3.43 116.67 120.36 1irz s ASP 42 Ca 0.58 1.56 0.00 0.00 1.18 0.00 0.00 52.55 55.87 1irz s ASP 42 Cb -0.12 -2.47 0.00 0.00 -0.34 0.00 0.00 42.92 39.99 1irz s ASP 42 CO 0.46 0.05 0.00 1.17 0.68 0.00 0.00 175.17 177.53 1irz n LYS 43 N 0.89 -0.18 -3.73 2.11 4.81 -1.26 -4.96 118.16 115.83 1irz n LYS 43 Ca -0.02 0.05 -0.37 0.00 -0.87 0.00 0.00 58.31 57.09 1irz n LYS 43 Cb 0.50 -3.13 -0.11 0.00 0.02 0.00 0.00 35.03 32.31 1irz n LYS 43 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1irz s LEU 44 N 0.00 5.28 0.53 3.14 1.43 -1.22 -5.01 118.68 122.84 1irz s LEU 44 Ca 0.00 -1.96 0.02 0.00 -1.03 0.00 0.00 54.13 51.16 1irz s LEU 44 Cb 0.00 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1irz s LEU 44 CO 0.00 -0.56 0.75 0.42 0.23 0.00 0.00 176.35 177.19 1irz s THR 45 N 1.20 2.73 0.62 5.49 -4.23 -1.26 -4.74 115.64 115.44 1irz s THR 45 Ca 0.07 -0.70 0.35 0.00 -1.18 0.00 0.00 61.69 60.24 1irz s THR 45 Cb -0.23 -3.01 0.39 0.00 1.34 0.00 0.00 72.50 70.99 1irz s THR 45 CO -0.03 -0.01 2.30 0.08 -0.54 0.00 0.00 174.62 176.42 1irz h ARG 46 N 0.14 0.00 -0.04 3.99 0.11 -1.93 -0.23 114.38 116.42 1irz h ARG 46 Ca -0.42 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.50 1irz h ARG 46 Cb 1.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1irz h ARG 46 CO 0.51 0.00 -0.71 1.49 0.10 0.00 0.00 179.97 181.36 1irz h GLU 47 N 0.00 0.21 -0.29 0.08 4.57 -1.92 -1.00 114.58 116.22 1irz h GLU 47 Ca 0.00 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 57.93 1irz h GLU 47 Cb 0.01 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1irz h GLU 47 CO -0.00 0.83 -0.17 -0.91 -1.18 0.00 0.00 179.01 177.59 1irz h ASN 48 N 0.14 0.50 0.81 1.04 2.35 -1.40 -0.39 115.58 118.63 1irz h ASN 48 Ca -0.02 -0.15 -0.24 0.00 -0.55 0.00 0.00 56.30 55.34 1irz h ASN 48 Cb 1.26 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.46 1irz h ASN 48 CO 0.11 0.69 -1.25 0.58 -1.65 0.00 0.00 177.43 175.91 1irz h VAL 49 N 0.47 1.41 0.00 2.81 2.07 -1.45 -3.21 116.25 118.34 1irz h VAL 49 Ca 0.08 -3.16 -0.00 0.00 0.82 0.00 0.00 66.70 64.44 1irz h VAL 49 Cb 0.56 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1irz h VAL 49 CO 0.04 0.81 -0.01 0.00 0.02 0.00 0.00 177.57 178.43 1irz h ALA 50 N 0.97 1.00 0.00 1.67 0.00 -0.89 -2.95 119.26 119.06 1irz h ALA 50 Ca -0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1irz h ALA 50 Cb 1.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1irz h ALA 50 CO 0.12 0.01 -0.16 0.77 0.00 0.00 0.00 179.25 179.99 1irz h SER 51 N 0.00 0.14 -0.81 0.00 0.02 -1.08 -1.83 113.55 109.98 1irz h SER 51 Ca -0.00 -0.79 0.04 0.00 -0.84 0.00 0.00 61.79 60.20 1irz h SER 51 Cb 0.73 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 1irz h SER 51 CO 0.00 0.91 0.53 -0.74 -1.14 0.00 0.00 176.83 176.40 1irz h HIS 52 N -0.62 0.96 -0.43 3.45 6.17 -1.56 -1.14 115.15 121.98 1irz h HIS 52 Ca -0.02 0.02 -0.14 0.00 0.71 0.00 0.00 60.37 60.94 1irz h HIS 52 Cb 0.94 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 30.53 1irz h HIS 52 CO 0.19 0.55 -0.28 1.25 0.71 0.00 0.00 177.93 180.35 1irz h LEU 53 N 0.99 0.97 -1.78 0.26 5.85 -1.54 -2.61 115.31 117.45 1irz h LEU 53 Ca 0.33 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1irz h LEU 53 Cb 0.07 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1irz h LEU 53 CO -0.10 1.18 -0.11 1.56 -0.34 0.00 0.00 178.44 180.62 1irz h GLN 54 N 0.79 0.00 -0.63 1.25 4.20 -0.35 -1.58 115.11 118.80 1irz h GLN 54 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1irz h GLN 54 Cb 0.85 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1irz h GLN 54 CO 0.08 0.11 0.36 0.87 -0.67 0.00 0.00 178.83 179.58 1irz h LYS 55 N 0.00 0.85 -0.24 1.46 1.57 -0.90 -2.17 116.57 117.14 1irz h LYS 55 Ca -0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1irz h LYS 55 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1irz h LYS 55 CO 0.01 0.61 0.08 0.35 -0.57 0.00 0.00 179.45 179.93 1irz h PHE 56 N 0.86 0.38 -0.86 -1.35 3.57 -1.31 -1.02 116.94 117.23 1irz h PHE 56 Ca 0.22 -0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.83 1irz h PHE 56 Cb -0.01 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 1irz h PHE 56 CO 0.00 0.43 0.56 0.00 -2.23 0.00 0.00 178.31 177.07 1irz h ARG 57 N 0.23 0.62 -0.53 1.11 -0.00 -1.36 0.64 114.38 115.09 1irz h ARG 57 Ca 0.08 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.98 59.44 1irz h ARG 57 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 30.03 1irz h ARG 57 CO -0.00 0.41 -0.00 0.28 0.00 0.00 0.00 179.97 180.66 1irz h VAL 58 N 0.64 1.25 0.00 2.04 2.07 -0.74 -0.26 116.25 121.26 1irz h VAL 58 Ca 0.43 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1irz h VAL 58 Cb 0.72 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1irz h VAL 58 CO -0.18 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1irz n ALA 59 N -2.48 2.00 1.97 1.67 0.00 0.18 -2.47 120.51 121.38 1irz n ALA 59 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1irz n ALA 59 Cb 0.32 -1.40 0.39 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.89 0.07 -0.93 0.00 4.77 0.12 -4.88 117.00 114.27 1irz n LEU 60 Ca 0.05 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1irz n LEU 60 Cb 0.30 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1irz n LEU 60 CO 0.23 0.01 0.00 1.17 -1.33 0.00 0.00 177.39 177.47 1irz n LYS 61 N -0.66 0.00 -4.00 3.23 4.81 -1.03 -4.53 118.16 115.97 1irz n LYS 61 Ca 0.10 0.31 -0.44 0.00 -0.87 0.00 0.00 58.31 57.41 1irz n LYS 61 Cb 0.06 -0.93 0.02 0.00 0.02 0.00 0.00 35.03 34.21 1irz n LYS 61 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1irz n LYS 62 N -0.40 -0.44 -2.80 1.64 3.00 -1.22 -4.87 118.16 113.06 1irz n LYS 62 Ca 0.00 0.15 -0.27 0.00 -0.00 0.00 0.00 58.31 58.19 1irz n LYS 62 Cb 0.09 -2.85 -0.03 0.00 0.00 0.00 0.00 35.03 32.24 1irz n LYS 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1irz n VAL 63 N -4.89 2.82 1.79 3.15 0.31 -1.01 -5.04 118.33 115.47 1irz n VAL 63 Ca -0.11 -5.37 0.14 0.00 -0.01 0.00 0.00 64.34 59.00 1irz n VAL 63 Cb 0.57 -1.34 0.85 0.00 -0.91 0.00 0.00 33.84 33.01 1irz n VAL 63 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97