#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 0.00 -0.49 6.98 0.00 -1.26 -5.15 120.51 120.59 1irz n ALA 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1irz n ALA 2 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1irz n ALA 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1irz n GLN 3 N -0.16 -1.49 -2.76 0.00 3.00 -1.26 -4.99 117.38 109.72 1irz n GLN 3 Ca 0.00 -0.73 -0.09 0.00 -0.01 0.00 0.00 57.00 56.16 1irz n GLN 3 Cb 0.00 -1.44 0.08 0.00 0.00 0.00 0.00 30.24 28.88 1irz n GLN 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1irz n LYS 4 N -1.47 1.09 -3.05 -1.09 4.81 -1.26 -5.12 118.16 112.07 1irz n LYS 4 Ca 0.07 -2.20 -0.39 0.00 -0.87 0.00 0.00 58.31 54.92 1irz n LYS 4 Cb 0.30 -0.76 -0.05 0.00 0.02 0.00 0.00 35.03 34.54 1irz n LYS 4 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1irz s LYS 5 N -0.43 4.45 0.16 1.64 -2.85 -1.26 -5.03 119.74 116.41 1irz s LYS 5 Ca 0.25 0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 55.90 1irz s LYS 5 Cb 0.36 -3.34 -0.07 0.00 -2.06 0.00 0.00 37.83 32.72 1irz s LYS 5 CO -0.06 0.37 1.00 -1.25 0.10 0.00 0.00 175.35 175.50 1irz s PRO 6 N -0.31 4.70 0.00 1.78 0.04 -1.26 -4.46 135.00 135.49 1irz s PRO 6 Ca 0.36 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1irz s PRO 6 Cb -0.20 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1irz s PRO 6 CO 0.22 0.24 0.00 2.89 0.04 0.00 0.00 177.00 180.39 1irz n ARG 7 N 2.37 -0.28 -2.09 4.56 1.85 -1.26 -4.74 116.66 117.07 1irz n ARG 7 Ca 0.01 0.73 -0.42 0.00 -1.00 0.00 0.00 57.85 57.17 1irz n ARG 7 Cb 0.48 -0.90 -0.03 0.00 -1.05 0.00 0.00 32.46 30.96 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 -0.89 3.39 -0.19 8.89 1.01 -1.26 -4.91 120.40 126.44 1irz s VAL 8 Ca 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 61.98 62.62 1irz s VAL 8 Cb 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 36.38 32.73 1irz s VAL 8 CO 0.00 -0.00 0.02 -0.11 0.00 0.00 0.00 175.10 175.01 1irz n LEU 9 N 5.45 1.85 -2.76 3.92 7.94 -1.26 -4.89 117.00 127.26 1irz n LEU 9 Ca 0.14 0.48 -0.04 0.00 -1.11 0.00 0.00 56.01 55.48 1irz n LEU 9 Cb 0.42 -0.92 0.01 0.00 0.53 0.00 0.00 43.42 43.47 1irz n LEU 9 CO 0.60 0.04 0.14 0.79 -1.11 0.00 0.00 177.39 177.86 1irz n TRP 10 N -4.48 -3.67 -4.15 1.96 7.02 -1.26 -5.02 117.44 107.84 1irz n TRP 10 Ca -0.26 -1.33 -0.27 0.00 -1.02 0.00 0.00 57.50 54.62 1irz n TRP 10 Cb 0.56 1.47 -0.04 0.00 -2.42 0.00 0.00 31.31 30.88 1irz n TRP 10 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1irz s THR 11 N 0.87 1.79 0.66 -0.99 -4.23 -1.26 -4.94 115.64 107.54 1irz s THR 11 Ca 0.30 -1.67 0.37 0.00 -1.18 0.00 0.00 61.69 59.51 1irz s THR 11 Cb 0.01 -2.45 0.38 0.00 1.34 0.00 0.00 72.50 71.78 1irz s THR 11 CO -0.06 0.00 2.16 1.12 -0.54 0.00 0.00 174.62 177.30 1irz h HIS 12 N 1.11 0.00 0.00 3.99 2.07 -2.01 -0.53 115.15 119.78 1irz h HIS 12 Ca -0.40 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.11 1irz h HIS 12 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.27 1irz h HIS 12 CO 0.97 0.00 -0.04 1.49 -3.07 0.00 0.00 177.93 177.28 1irz h GLU 13 N 0.00 0.00 0.00 5.12 4.57 -2.00 -2.94 114.58 119.33 1irz h GLU 13 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1irz h GLU 13 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1irz h GLU 13 CO -0.00 0.03 0.07 -0.07 -1.18 0.00 0.00 179.01 177.86 1irz h LEU 14 N -1.00 0.00 0.01 1.64 3.38 -1.85 0.19 115.31 117.67 1irz h LEU 14 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1irz h LEU 14 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1irz h LEU 14 CO -0.00 0.00 -1.04 -0.74 0.09 0.00 0.00 178.44 176.75 1irz h HIS 15 N 0.00 0.03 -0.07 1.13 2.76 -1.18 -2.93 115.15 114.89 1irz h HIS 15 Ca 0.00 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.99 1irz h HIS 15 Cb 0.14 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1irz h HIS 15 CO 0.00 1.02 -0.65 -0.91 -1.30 0.00 0.00 177.93 176.09 1irz h ASN 16 N 0.00 0.32 -0.10 3.26 -0.26 -0.77 -2.38 115.58 115.66 1irz h ASN 16 Ca -0.03 -0.19 -0.17 0.00 -0.56 0.00 0.00 56.30 55.35 1irz h ASN 16 Cb 1.79 -0.09 0.01 0.00 -1.06 0.00 0.00 38.32 38.97 1irz h ASN 16 CO 0.13 0.88 -0.61 0.11 -1.06 0.00 0.00 177.43 176.88 1irz h LYS 17 N 0.20 0.58 0.00 0.81 1.57 -1.56 -2.41 116.57 115.76 1irz h LYS 17 Ca -0.01 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1irz h LYS 17 Cb 1.18 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1irz h LYS 17 CO 0.10 1.12 -0.09 0.35 -0.57 0.00 0.00 179.45 180.36 1irz h PHE 18 N 0.21 0.00 0.12 -1.35 3.57 -1.51 -0.35 116.94 117.64 1irz h PHE 18 Ca -0.05 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.26 1irz h PHE 18 Cb 1.26 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.01 1irz h PHE 18 CO 0.11 0.09 -0.90 -0.07 -2.23 0.00 0.00 178.31 175.32 1irz h LEU 19 N 0.00 0.41 -0.79 0.59 3.38 -1.32 -2.73 115.31 114.85 1irz h LEU 19 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1irz h LEU 19 Cb 0.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1irz h LEU 19 CO 0.01 1.42 0.00 0.00 0.09 0.00 0.00 178.44 179.96 1irz h ALA 20 N 0.03 1.00 0.21 1.53 0.00 -1.30 -1.89 119.26 118.84 1irz h ALA 20 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.42 1irz h ALA 20 Cb 1.62 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.44 1irz h ALA 20 CO 0.11 0.00 -1.39 0.00 0.00 0.00 0.00 179.25 177.97 1irz h ALA 21 N 2.00 -0.08 -0.08 0.00 0.00 -1.13 -1.12 119.26 118.85 1irz h ALA 21 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 1irz h ALA 21 Cb 0.74 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1irz h ALA 21 CO 0.00 0.75 -0.16 0.28 0.00 0.00 0.00 179.25 180.12 1irz h VAL 22 N 0.16 1.40 -0.67 0.00 2.07 -1.40 -2.81 116.25 115.00 1irz h VAL 22 Ca -0.22 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1irz h VAL 22 Cb 2.08 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.96 1irz h VAL 22 CO 0.26 0.41 0.42 -0.78 0.02 0.00 0.00 177.57 177.89 1irz h ASP 23 N -0.21 0.79 -0.03 0.57 1.82 -1.44 0.91 116.42 118.83 1irz h ASP 23 Ca 0.00 -0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1irz h ASP 23 Cb 0.73 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 1irz h ASP 23 CO 0.04 0.60 0.06 -0.74 -1.61 0.00 0.00 179.24 177.59 1irz h HIS 24 N 0.91 0.00 -0.01 0.28 2.76 -1.16 -1.01 115.15 116.92 1irz h HIS 24 Ca 0.24 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1irz h HIS 24 Cb -0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1irz h HIS 24 CO -0.02 0.00 -0.06 1.28 -1.30 0.00 0.00 177.93 177.83 1irz n LEU 25 N -3.46 1.51 -1.09 0.26 4.77 -0.17 -5.07 117.00 113.75 1irz n LEU 25 Ca -0.02 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1irz n LEU 25 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1irz n LEU 25 CO 0.23 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1irz n GLY 26 N 0.62 -2.73 0.33 -0.72 0.00 0.30 -3.89 105.19 99.10 1irz n GLY 26 Ca 0.05 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.24 1.61 3.04 -1.79 0.59 116.25 119.46 1irz h VAL 27 Ca 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.58 1irz h VAL 27 Cb 0.00 0.61 -0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1irz h VAL 27 CO 0.00 0.00 -0.29 -0.08 -1.01 0.00 0.00 177.57 176.19 1irz h GLU 28 N 0.00 0.62 -0.11 4.17 4.22 -1.89 -3.30 114.58 118.29 1irz h GLU 28 Ca 0.00 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.09 1irz h GLU 28 Cb 0.73 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1irz h GLU 28 CO 0.00 0.95 0.00 0.54 -2.18 0.00 0.00 179.01 178.32 1irz n ARG 29 N -4.31 2.50 -2.64 1.92 5.12 -0.01 -4.99 116.66 114.24 1irz n ARG 29 Ca -0.05 -2.11 -0.43 0.00 -1.93 0.00 0.00 57.85 53.34 1irz n ARG 29 Cb 0.47 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.43 1irz n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1irz s ALA 30 N -1.79 3.68 0.19 7.54 0.00 0.19 -4.94 121.76 126.63 1irz s ALA 30 Ca 0.20 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1irz s ALA 30 Cb 0.15 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1irz s ALA 30 CO 0.05 -1.05 0.30 0.14 0.00 0.00 0.00 175.76 175.21 1irz s VAL 31 N 3.19 5.21 -0.10 0.00 -7.23 -1.26 -4.93 120.40 115.28 1irz s VAL 31 Ca 0.45 -0.87 0.19 0.00 -1.81 0.00 0.00 61.98 59.94 1irz s VAL 31 Cb -0.16 -3.75 0.15 0.00 0.56 0.00 0.00 36.38 33.19 1irz s VAL 31 CO 0.07 -0.20 1.59 1.55 -0.31 0.00 0.00 175.10 177.80 1irz h PRO 32 N 1.74 0.00 0.18 4.82 0.13 -1.90 -2.46 132.00 134.51 1irz h PRO 32 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1irz h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1irz h PRO 32 CO 0.65 0.35 -0.09 -0.22 -0.23 0.00 0.00 178.00 178.47 1irz h LYS 33 N 0.00 -0.23 -0.41 0.86 3.11 -1.95 0.11 116.57 118.06 1irz h LYS 33 Ca -0.00 0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.75 1irz h LYS 33 Cb 1.13 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1irz h LYS 33 CO 0.05 0.13 -0.16 0.87 -2.81 0.00 0.00 179.45 177.53 1irz h LYS 34 N -0.65 0.83 0.00 1.90 1.79 -1.99 -2.22 116.57 116.23 1irz h LYS 34 Ca -0.02 -0.35 -0.02 0.00 -2.18 0.00 0.00 60.65 58.08 1irz h LYS 34 Cb 0.47 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1irz h LYS 34 CO 0.04 0.98 -0.10 0.82 -1.08 0.00 0.00 179.45 180.10 1irz h ILE 35 N 0.65 0.54 -0.85 1.86 2.04 -1.45 -1.14 117.51 119.15 1irz h ILE 35 Ca 0.10 -0.48 0.16 0.00 1.00 0.00 0.00 64.86 65.64 1irz h ILE 35 Cb 0.71 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 1irz h ILE 35 CO 0.05 0.10 0.56 0.25 0.00 0.00 0.00 178.15 179.11 1irz h LEU 36 N 0.00 0.51 -0.55 1.44 5.85 -0.12 0.59 115.31 123.02 1irz h LEU 36 Ca -0.00 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 1irz h LEU 36 Cb 0.31 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1irz h LEU 36 CO 0.01 0.24 -0.64 0.44 -0.34 0.00 0.00 178.44 178.15 1irz h ASP 37 N 0.53 0.36 -0.90 1.25 5.19 -1.28 -2.57 116.42 119.01 1irz h ASP 37 Ca 0.43 -0.22 0.07 0.00 -0.62 0.00 0.00 57.03 56.69 1irz h ASP 37 Cb 0.89 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.23 1irz h ASP 37 CO -0.18 0.91 0.58 -0.07 -3.12 0.00 0.00 179.24 177.37 1irz h LEU 38 N 0.23 0.89 0.05 1.55 3.38 0.18 -2.70 115.31 118.89 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 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1irz h LEU 38 CO 0.10 0.57 -0.02 0.24 0.09 0.00 0.00 178.44 179.42 1irz h MET 39 N 1.00 -0.06 -2.58 1.13 2.86 -1.18 -3.47 114.93 112.64 1irz h MET 39 Ca 0.39 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.69 1irz h MET 39 Cb 0.22 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 1irz h MET 39 CO -0.15 0.54 -0.40 -1.71 1.06 0.00 0.00 176.91 176.25 1irz n ASN 40 N -4.81 -4.87 -4.91 1.22 5.15 -0.98 -4.94 115.26 101.11 1irz n ASN 40 Ca -0.09 0.20 -0.28 0.00 -0.60 0.00 0.00 54.58 53.81 1irz n ASN 40 Cb 0.31 -4.19 -0.03 0.00 -0.53 0.00 0.00 39.78 35.34 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 -2.72 5.09 0.36 3.44 1.01 -1.26 -5.07 120.40 121.26 1irz s VAL 41 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 1irz s VAL 41 Cb 0.00 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1irz s VAL 41 CO 0.00 -0.24 0.94 1.51 0.00 0.00 0.00 175.10 177.30 1irz s ASP 42 N -3.11 7.15 0.00 3.32 1.47 -1.26 -3.21 116.67 121.04 1irz s ASP 42 Ca 0.42 1.75 0.00 0.00 1.18 0.00 0.00 52.55 55.90 1irz s ASP 42 Cb -0.11 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.92 1irz s ASP 42 CO 0.29 -0.19 0.00 1.17 0.68 0.00 0.00 175.17 177.12 1irz n LYS 43 N 0.05 0.00 -3.64 2.11 4.81 -1.26 -4.86 118.16 115.37 1irz n LYS 43 Ca 0.04 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.10 1irz n LYS 43 Cb 0.52 -2.57 -0.12 0.00 0.02 0.00 0.00 35.03 32.88 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 3.88 0.00 3.14 1.43 -1.20 -5.06 118.68 120.88 1irz s LEU 44 Ca 0.00 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1irz s LEU 44 Cb 0.00 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1irz s LEU 44 CO 0.00 -0.07 0.25 0.35 0.23 0.00 0.00 176.35 177.11 1irz n THR 45 N 5.01 0.00 0.13 5.49 -2.24 -1.26 -4.82 114.28 116.60 1irz n THR 45 Ca -0.15 -2.34 0.01 0.00 -2.27 0.00 0.00 64.05 59.30 1irz n THR 45 Cb 0.51 0.19 0.09 0.00 -2.10 0.00 0.00 70.33 69.03 1irz n THR 45 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1irz h ARG 46 N 0.00 0.00 0.00 -0.78 0.11 -1.92 -3.04 114.38 108.75 1irz h ARG 46 Ca -0.39 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.65 1irz h ARG 46 Cb 1.32 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.39 1irz h ARG 46 CO 0.63 0.59 -0.19 1.49 0.10 0.00 0.00 179.97 182.59 1irz h GLU 47 N 0.00 0.00 0.02 0.08 4.81 -1.95 -0.82 114.58 116.71 1irz h GLU 47 Ca -0.01 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1irz h GLU 47 Cb 1.31 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.70 1irz h GLU 47 CO 0.08 0.19 -1.00 -0.91 -0.73 0.00 0.00 179.01 176.63 1irz h ASN 48 N 0.00 0.59 1.17 1.04 4.21 -1.93 -2.50 115.58 118.15 1irz h ASN 48 Ca -0.00 -0.49 -0.14 0.00 1.21 0.00 0.00 56.30 56.88 1irz h ASN 48 Cb 0.77 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.77 1irz h ASN 48 CO 0.02 1.30 -0.87 0.58 -1.29 0.00 0.00 177.43 177.17 1irz h VAL 49 N 0.24 0.84 0.00 2.81 2.07 -1.54 -3.22 116.25 117.45 1irz h VAL 49 Ca -0.10 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.13 1irz h VAL 49 Cb 1.65 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1irz h VAL 49 CO 0.18 0.48 -0.03 0.00 0.02 0.00 0.00 177.57 178.21 1irz h ALA 50 N 1.41 0.98 0.05 1.67 0.00 -1.16 -2.94 119.26 119.27 1irz h ALA 50 Ca -0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1irz h ALA 50 Cb 1.50 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1irz h ALA 50 CO 0.07 0.04 -0.49 0.77 0.00 0.00 0.00 179.25 179.64 1irz h SER 51 N 0.00 0.34 0.15 0.00 0.02 -1.46 -2.51 113.55 110.09 1irz h SER 51 Ca -0.00 -0.87 -0.04 0.00 -0.84 0.00 0.00 61.79 60.04 1irz h SER 51 Cb 0.88 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1irz h SER 51 CO 0.00 1.18 -0.17 -0.74 -1.14 0.00 0.00 176.83 175.96 1irz h HIS 52 N -0.44 0.04 -0.04 3.45 6.17 -1.59 -0.25 115.15 122.49 1irz h HIS 52 Ca -0.07 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 60.97 1irz h HIS 52 Cb 1.30 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.21 1irz h HIS 52 CO 0.19 0.21 -0.09 1.25 0.71 0.00 0.00 177.93 180.20 1irz h LEU 53 N 0.04 0.16 -1.59 0.26 5.85 -1.54 -2.43 115.31 116.06 1irz h LEU 53 Ca 0.01 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1irz h LEU 53 Cb 0.32 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1irz h LEU 53 CO 0.02 0.70 0.00 1.56 -0.34 0.00 0.00 178.44 180.38 1irz h GLN 54 N -0.38 0.00 0.00 1.25 4.20 -1.16 -2.30 115.11 116.73 1irz h GLN 54 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1irz h GLN 54 Cb 0.68 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1irz h GLN 54 CO 0.02 0.00 -0.80 0.87 -0.67 0.00 0.00 178.83 178.25 1irz h LYS 55 N 0.00 0.00 -0.11 1.46 1.57 -0.89 -3.17 116.57 115.44 1irz h LYS 55 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1irz h LYS 55 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1irz h LYS 55 CO 0.00 0.80 -0.19 0.35 -0.57 0.00 0.00 179.45 179.85 1irz h PHE 56 N 0.00 0.40 -0.97 -1.35 3.57 -0.91 -1.29 116.94 116.39 1irz h PHE 56 Ca -0.01 -0.14 0.10 0.00 3.53 0.00 0.00 57.97 61.45 1irz h PHE 56 Cb 1.61 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.20 1irz h PHE 56 CO 0.00 0.79 0.61 0.00 -2.23 0.00 0.00 178.31 177.48 1irz h ARG 57 N -0.10 0.98 -0.62 1.11 3.08 -1.62 0.61 114.38 117.82 1irz h ARG 57 Ca 0.01 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1irz h ARG 57 Cb 0.76 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1irz h ARG 57 CO 0.04 0.65 0.11 0.28 -1.07 0.00 0.00 179.97 179.98 1irz h VAL 58 N 1.01 1.25 0.00 2.04 2.07 -1.49 0.17 116.25 121.30 1irz h VAL 58 Ca 0.46 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1irz h VAL 58 Cb 0.38 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1irz h VAL 58 CO -0.24 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1irz n ALA 59 N -2.46 1.95 0.00 1.67 0.00 0.70 -2.68 120.51 119.69 1irz n ALA 59 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1irz n ALA 59 Cb 0.27 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.85 0.79 0.00 0.00 4.77 0.18 -4.52 117.00 116.36 1irz n LEU 60 Ca 0.04 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1irz n LEU 60 Cb 0.28 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1irz n LEU 60 CO 0.22 0.24 0.21 0.29 -1.33 0.00 0.00 177.39 177.02 1irz n LYS 61 N -2.91 0.00 -2.86 3.23 5.02 -0.31 -4.39 118.16 115.94 1irz n LYS 61 Ca -0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.73 1irz n LYS 61 Cb 0.92 -0.91 -0.04 0.00 -0.02 0.00 0.00 35.03 34.98 1irz n LYS 61 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1irz s LYS 62 N -0.83 3.25 -0.25 1.97 1.02 -1.25 -4.98 119.74 118.65 1irz s LYS 62 Ca 0.00 -0.48 -0.00 0.00 0.02 0.00 0.00 55.97 55.51 1irz s LYS 62 Cb 0.00 -4.11 0.07 0.00 -0.52 0.00 0.00 37.83 33.27 1irz s LYS 62 CO 0.00 -1.58 0.01 0.14 -0.92 0.00 0.00 175.35 173.00 1irz s VAL 63 N 3.93 1.18 -0.18 3.17 -7.23 -1.26 -4.90 120.40 115.11 1irz s VAL 63 Ca 0.27 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1irz s VAL 63 Cb -0.14 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.16 1irz s VAL 63 CO 0.16 -0.31 0.55 -1.54 -0.31 0.00 0.00 175.10 173.64