#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 4.03 -2.13 6.98 0.00 -1.26 -5.08 120.51 123.05 1irz n ALA 2 Ca 0.00 -4.75 -0.29 0.00 0.00 0.00 0.00 53.44 48.40 1irz n ALA 2 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1irz n ALA 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1irz s GLN 3 N -2.36 3.56 0.38 0.00 -0.21 -1.26 -5.05 119.66 114.73 1irz s GLN 3 Ca 0.38 0.40 -0.05 0.00 0.02 0.00 0.00 55.36 56.10 1irz s GLN 3 Cb 0.12 -2.27 0.08 0.00 1.00 0.00 0.00 33.01 31.94 1irz s GLN 3 CO -0.03 -0.33 0.19 1.63 -2.12 0.00 0.00 175.29 174.63 1irz n LYS 4 N -2.43 -1.21 -2.46 2.91 5.02 -1.26 -4.80 118.16 113.94 1irz n LYS 4 Ca 0.02 -0.32 -0.43 0.00 -2.02 0.00 0.00 58.31 55.57 1irz n LYS 4 Cb 0.55 -0.54 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 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 -2.62 4.26 0.55 1.97 2.20 -1.26 -5.00 119.74 119.83 1irz s LYS 5 Ca 0.15 1.63 -0.16 0.00 -0.36 0.00 0.00 55.97 57.23 1irz s LYS 5 Cb -0.03 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 1irz s LYS 5 CO 0.12 -0.65 1.02 -1.25 -0.36 0.00 0.00 175.35 174.23 1irz s PRO 6 N 3.22 3.68 -0.93 4.03 0.04 -1.26 -4.83 135.00 138.95 1irz s PRO 6 Ca 0.54 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 1irz s PRO 6 Cb -0.22 -2.09 -0.25 0.00 0.04 0.00 0.00 34.50 31.99 1irz s PRO 6 CO 0.15 -0.50 2.43 0.54 0.04 0.00 0.00 177.00 179.66 1irz n ARG 7 N -1.77 0.15 -2.77 4.56 3.00 -1.26 -4.81 116.66 113.75 1irz n ARG 7 Ca 0.07 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.85 57.41 1irz n ARG 7 Cb 0.53 -1.68 -0.03 0.00 0.00 0.00 0.00 32.46 31.28 1irz n ARG 7 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1irz s VAL 8 N 6.19 4.65 -0.15 1.55 1.01 -1.26 -4.91 120.40 127.48 1irz s VAL 8 Ca 1.27 1.57 -0.12 0.00 0.00 0.00 0.00 61.98 64.70 1irz s VAL 8 Cb -0.89 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.16 1irz s VAL 8 CO 0.46 -0.33 -0.22 -0.11 0.00 0.00 0.00 175.10 174.90 1irz n LEU 9 N 6.51 1.77 -3.03 3.92 7.94 -1.26 -4.88 117.00 127.97 1irz n LEU 9 Ca 0.09 0.52 -0.15 0.00 -1.11 0.00 0.00 56.01 55.35 1irz n LEU 9 Cb 0.47 -0.81 -0.03 0.00 0.53 0.00 0.00 43.42 43.58 1irz n LEU 9 CO 0.54 -0.41 -0.07 0.79 -1.11 0.00 0.00 177.39 177.13 1irz n TRP 10 N -4.47 -2.23 -4.19 1.96 5.03 -1.26 -4.63 117.44 107.65 1irz n TRP 10 Ca -0.09 -2.43 -0.28 0.00 3.03 0.00 0.00 57.50 57.73 1irz n TRP 10 Cb 0.33 0.79 -0.05 0.00 -1.03 0.00 0.00 31.31 31.36 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 0.21 1.73 0.65 -0.99 -4.23 -1.26 -4.57 115.64 107.18 1irz s THR 11 Ca 0.32 -1.69 0.31 0.00 -1.18 0.00 0.00 61.69 59.45 1irz s THR 11 Cb 0.09 -2.42 0.32 0.00 1.34 0.00 0.00 72.50 71.84 1irz s THR 11 CO -0.15 0.00 1.96 0.45 -0.54 0.00 0.00 174.62 176.34 1irz h HIS 12 N 1.12 0.00 0.00 3.99 3.86 -2.01 0.87 115.15 122.98 1irz h HIS 12 Ca -0.41 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.79 1irz h HIS 12 Cb 1.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.76 1irz h HIS 12 CO 1.01 0.00 -0.23 1.49 0.86 0.00 0.00 177.93 181.06 1irz h GLU 13 N 0.00 0.00 0.00 2.45 4.81 -1.99 -3.31 114.58 116.53 1irz h GLU 13 Ca 0.03 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1irz h GLU 13 Cb 0.68 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1irz h GLU 13 CO -0.00 0.18 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.19 1irz h LEU 14 N -1.00 0.00 -1.45 1.64 3.38 -1.78 -3.30 115.31 112.80 1irz h LEU 14 Ca -0.02 -0.41 0.22 0.00 0.09 0.00 0.00 57.88 57.76 1irz h LEU 14 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1irz h LEU 14 CO -0.01 0.82 0.88 -0.74 0.09 0.00 0.00 178.44 179.47 1irz h HIS 15 N -1.00 0.00 -0.06 1.13 2.76 0.50 0.37 115.15 118.85 1irz h HIS 15 Ca -0.04 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1irz h HIS 15 Cb 0.56 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 1irz h HIS 15 CO 0.08 0.00 -0.03 -0.91 -1.30 0.00 0.00 177.93 175.78 1irz h ASN 16 N 0.00 0.12 -0.05 3.26 4.21 -1.62 -0.65 115.58 120.86 1irz h ASN 16 Ca 0.35 -0.41 -0.11 0.00 1.21 0.00 0.00 56.30 57.34 1irz h ASN 16 Cb 2.11 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 39.27 1irz h ASN 16 CO -0.00 0.50 -0.31 0.11 -1.29 0.00 0.00 177.43 176.44 1irz h LYS 17 N -0.26 0.52 0.00 0.81 1.57 -0.42 -2.30 116.57 116.50 1irz h LYS 17 Ca 0.01 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1irz h LYS 17 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1irz h LYS 17 CO 0.01 0.77 -0.30 0.35 -0.57 0.00 0.00 179.45 179.71 1irz h PHE 18 N 0.45 0.00 0.06 -1.35 3.57 -1.25 -0.69 116.94 117.73 1irz h PHE 18 Ca 0.05 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.39 1irz h PHE 18 Cb 0.77 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.53 1irz h PHE 18 CO 0.03 0.30 -0.70 -0.07 -2.23 0.00 0.00 178.31 175.64 1irz h LEU 19 N 0.00 0.50 -1.00 0.59 3.38 -0.66 -2.38 115.31 115.75 1irz h LEU 19 Ca -0.00 -0.85 -0.06 0.00 0.09 0.00 0.00 57.88 57.06 1irz h LEU 19 Cb 0.73 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1irz h LEU 19 CO 0.04 1.30 -0.28 0.00 0.09 0.00 0.00 178.44 179.59 1irz h ALA 20 N 0.21 1.00 -0.10 1.53 0.00 -1.35 -1.85 119.26 118.71 1irz h ALA 20 Ca -0.11 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 1irz h ALA 20 Cb 1.46 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1irz h ALA 20 CO 0.13 0.35 -0.82 0.00 0.00 0.00 0.00 179.25 178.91 1irz h ALA 21 N 1.72 0.23 -0.13 0.00 0.00 -1.13 -1.28 119.26 118.66 1irz h ALA 21 Ca -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1irz h ALA 21 Cb 0.82 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1irz h ALA 21 CO 0.04 0.64 -0.12 0.28 0.00 0.00 0.00 179.25 180.09 1irz h VAL 22 N 0.43 1.34 -0.99 0.00 2.07 -1.29 -3.03 116.25 114.79 1irz h VAL 22 Ca -0.08 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.22 1irz h VAL 22 Cb 1.46 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 33.06 1irz h VAL 22 CO 0.17 0.36 0.65 -0.78 0.02 0.00 0.00 177.57 177.99 1irz h ASP 23 N -0.07 1.10 -0.39 0.57 1.82 -1.39 0.34 116.42 118.41 1irz h ASP 23 Ca 0.02 -0.02 0.11 0.00 -0.39 0.00 0.00 57.03 56.76 1irz h ASP 23 Cb 0.63 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1irz h ASP 23 CO 0.03 0.78 0.35 -0.74 -1.61 0.00 0.00 179.24 178.04 1irz h HIS 24 N 1.29 0.00 -0.00 0.28 2.76 -1.11 0.22 115.15 118.59 1irz h HIS 24 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 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 -0.00 0.00 -0.61 1.28 -1.30 0.00 0.00 177.93 177.30 1irz n LEU 25 N -4.02 0.84 -0.23 0.26 4.77 -0.09 -5.06 117.00 113.45 1irz n LEU 25 Ca 0.07 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1irz n LEU 25 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1irz n LEU 25 CO 0.31 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1irz n GLY 26 N 1.30 -0.09 0.28 -0.72 0.00 0.10 -4.17 105.19 101.88 1irz n GLY 26 Ca 0.03 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 0.03 1.61 3.04 -1.80 0.69 116.25 119.82 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 0.62 0.02 0.00 -2.01 0.00 0.00 31.29 29.92 1irz h VAL 27 CO 0.00 0.00 -0.76 -0.08 -1.01 0.00 0.00 177.57 175.72 1irz h GLU 28 N 0.00 0.47 -0.11 4.17 4.81 -1.91 -3.35 114.58 118.66 1irz h GLU 28 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1irz h GLU 28 Cb 0.47 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1irz h GLU 28 CO 0.00 1.19 0.00 0.54 -0.73 0.00 0.00 179.01 180.01 1irz n ARG 29 N -4.11 2.43 -2.14 1.92 1.74 -0.50 -5.01 116.66 110.99 1irz n ARG 29 Ca -0.11 -2.17 -0.42 0.00 -0.77 0.00 0.00 57.85 54.37 1irz n ARG 29 Cb 0.76 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.91 3.61 0.26 7.54 0.00 0.23 -4.92 121.76 126.57 1irz s ALA 30 Ca 0.22 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1irz s ALA 30 Cb 0.17 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1irz s ALA 30 CO 0.05 -1.04 0.20 0.14 0.00 0.00 0.00 175.76 175.11 1irz s VAL 31 N 2.76 4.33 -0.09 0.00 -7.23 -1.26 -4.99 120.40 113.92 1irz s VAL 31 Ca 0.67 -1.42 0.20 0.00 -1.81 0.00 0.00 61.98 59.62 1irz s VAL 31 Cb -0.33 -3.36 0.18 0.00 0.56 0.00 0.00 36.38 33.43 1irz s VAL 31 CO 0.27 -0.34 1.63 1.55 -0.31 0.00 0.00 175.10 177.91 1irz h PRO 32 N 1.49 0.00 0.15 4.82 0.13 -1.93 -2.58 132.00 134.08 1irz h PRO 32 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.30 -0.07 -0.22 -0.23 0.00 0.00 178.00 178.38 1irz h LYS 33 N 0.00 -0.19 -0.50 0.86 3.11 -1.95 -0.19 116.57 117.71 1irz h LYS 33 Ca -0.00 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.74 1irz h LYS 33 Cb 1.06 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 1irz h LYS 33 CO 0.04 0.21 -0.13 0.87 -2.81 0.00 0.00 179.45 177.64 1irz h LYS 34 N -0.67 0.94 0.00 1.90 1.57 -1.99 -2.08 116.57 116.25 1irz h LYS 34 Ca -0.02 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1irz h LYS 34 Cb 0.49 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1irz h LYS 34 CO 0.03 1.01 -0.17 0.82 -0.57 0.00 0.00 179.45 180.57 1irz h ILE 35 N 0.84 0.59 -0.96 1.86 2.04 -1.47 -1.95 117.51 118.46 1irz h ILE 35 Ca 0.13 -0.78 0.14 0.00 1.00 0.00 0.00 64.86 65.35 1irz h ILE 35 Cb 0.67 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 1irz h ILE 35 CO 0.05 0.17 0.61 0.25 0.00 0.00 0.00 178.15 179.23 1irz h LEU 36 N 0.00 0.82 -0.29 1.44 5.85 -0.28 0.36 115.31 123.21 1irz h LEU 36 Ca -0.00 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.56 1irz h LEU 36 Cb 0.49 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1irz h LEU 36 CO 0.02 0.41 -0.81 0.44 -0.34 0.00 0.00 178.44 178.16 1irz h ASP 37 N 0.87 0.55 -0.24 1.25 3.32 -1.42 -2.70 116.42 118.04 1irz h ASP 37 Ca 0.49 -0.39 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1irz h ASP 37 Cb 0.61 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1irz h ASP 37 CO -0.25 1.16 0.19 -0.07 -1.72 0.00 0.00 179.24 178.55 1irz h LEU 38 N 0.29 0.00 0.14 1.55 3.38 -0.13 -2.00 115.31 118.53 1irz h LEU 38 Ca -0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 1irz h LEU 38 Cb 1.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.18 1irz h LEU 38 CO 0.14 0.00 -1.11 0.24 0.09 0.00 0.00 178.44 177.81 1irz h MET 39 N 0.00 0.29 -2.38 1.13 2.86 -0.82 -3.47 114.93 112.53 1irz h MET 39 Ca 0.12 -0.50 -0.23 0.00 -2.06 0.00 0.00 59.70 57.03 1irz h MET 39 Cb 0.50 0.19 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 1irz h MET 39 CO -0.00 1.24 -0.24 -1.71 1.06 0.00 0.00 176.91 177.25 1irz n ASN 40 N -4.02 -3.26 -4.89 1.22 2.85 -0.76 -4.90 115.26 101.51 1irz n ASN 40 Ca -0.19 0.26 -0.29 0.00 -0.11 0.00 0.00 54.58 54.25 1irz n ASN 40 Cb 0.87 -2.98 -0.03 0.00 1.24 0.00 0.00 39.78 38.89 1irz n ASN 40 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1irz s VAL 41 N -2.19 4.85 0.07 3.44 1.01 -1.26 -5.06 120.40 121.26 1irz s VAL 41 Ca 0.00 0.43 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1irz s VAL 41 Cb 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1irz s VAL 41 CO 0.00 -0.55 0.54 1.51 0.00 0.00 0.00 175.10 176.59 1irz s ASP 42 N -3.36 6.99 0.00 3.32 -4.77 -1.26 -3.80 116.67 113.79 1irz s ASP 42 Ca 0.49 1.19 0.00 0.00 -3.30 0.00 0.00 52.55 50.93 1irz s ASP 42 Cb -0.10 -2.33 0.00 0.00 -1.09 0.00 0.00 42.92 39.40 1irz s ASP 42 CO 0.34 0.26 0.00 1.17 0.70 0.00 0.00 175.17 177.64 1irz n LYS 43 N 1.60 0.00 -2.89 2.11 3.00 -1.26 -4.99 118.16 115.73 1irz n LYS 43 Ca -0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.80 1irz n LYS 43 Cb 0.51 -1.63 -0.04 0.00 0.00 0.00 0.00 35.03 33.87 1irz n LYS 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1irz s LEU 44 N 0.00 4.22 0.24 3.14 1.43 -1.25 -5.04 118.68 121.42 1irz s LEU 44 Ca 0.00 1.23 0.08 0.00 -1.03 0.00 0.00 54.13 54.41 1irz s LEU 44 Cb 0.00 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1irz s LEU 44 CO 0.00 -0.34 0.09 0.42 0.23 0.00 0.00 176.35 176.75 1irz s THR 45 N 1.81 3.96 -0.48 5.49 -4.23 -1.26 -4.94 115.64 115.99 1irz s THR 45 Ca 0.40 -1.59 0.25 0.00 -1.18 0.00 0.00 61.69 59.58 1irz s THR 45 Cb -0.17 -3.10 0.32 0.00 1.34 0.00 0.00 72.50 70.89 1irz s THR 45 CO 0.15 -0.31 1.72 0.08 -0.54 0.00 0.00 174.62 175.72 1irz h ARG 46 N 1.88 0.00 0.00 3.99 0.11 -1.96 -3.06 114.38 115.33 1irz h ARG 46 Ca -0.47 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 1irz h ARG 46 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 1irz h ARG 46 CO 0.60 0.00 -0.21 0.93 0.10 0.00 0.00 179.97 181.40 1irz h GLU 47 N 0.00 0.00 0.20 0.08 5.08 -1.94 -0.60 114.58 117.39 1irz h GLU 47 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1irz h GLU 47 Cb 0.81 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.08 1irz h GLU 47 CO 0.00 0.21 -1.40 -0.91 -1.00 0.00 0.00 179.01 175.90 1irz h ASN 48 N 0.00 0.65 1.28 1.42 2.35 -1.95 -2.79 115.58 116.53 1irz h ASN 48 Ca -0.00 -0.71 -0.12 0.00 -0.55 0.00 0.00 56.30 54.92 1irz h ASN 48 Cb 0.86 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1irz h ASN 48 CO 0.03 1.56 -0.75 0.58 -1.65 0.00 0.00 177.43 177.19 1irz h VAL 49 N 0.11 0.72 -0.03 2.81 2.07 -1.61 -2.97 116.25 117.35 1irz h VAL 49 Ca -0.21 -2.10 -0.25 0.00 0.82 0.00 0.00 66.70 64.96 1irz h VAL 49 Cb 2.08 2.28 0.02 0.00 -1.52 0.00 0.00 31.29 34.15 1irz h VAL 49 CO 0.24 0.41 -0.97 0.00 0.02 0.00 0.00 177.57 177.27 1irz h ALA 50 N 1.51 0.20 -0.20 1.67 0.00 -1.18 -2.18 119.26 119.07 1irz h ALA 50 Ca -0.05 -0.68 -0.19 0.00 0.00 0.00 0.00 54.91 54.00 1irz h ALA 50 Cb 1.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1irz h ALA 50 CO 0.06 0.70 -0.63 0.77 0.00 0.00 0.00 179.25 180.15 1irz h SER 51 N 0.41 0.83 0.70 0.00 0.02 -1.58 -2.59 113.55 111.34 1irz h SER 51 Ca -0.11 -0.48 -0.06 0.00 -0.84 0.00 0.00 61.79 60.30 1irz h SER 51 Cb 1.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 1irz h SER 51 CO 0.19 1.26 -0.30 -0.74 -1.14 0.00 0.00 176.83 176.10 1irz h HIS 52 N 0.54 0.00 -0.05 3.45 6.17 -1.57 -0.78 115.15 122.91 1irz h HIS 52 Ca -0.01 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.02 1irz h HIS 52 Cb 1.23 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.16 1irz h HIS 52 CO 0.07 0.30 -0.16 1.25 0.71 0.00 0.00 177.93 180.09 1irz h LEU 53 N 0.00 0.23 -0.79 0.26 5.85 -1.19 0.80 115.31 120.47 1irz h LEU 53 Ca -0.00 -0.62 -0.10 0.00 0.84 0.00 0.00 57.88 58.00 1irz h LEU 53 Cb 0.73 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1irz h LEU 53 CO 0.04 0.81 -0.45 1.56 -0.34 0.00 0.00 178.44 180.05 1irz h GLN 54 N -0.33 0.00 0.00 1.25 1.08 -1.39 -2.93 115.11 112.79 1irz h GLN 54 Ca -0.01 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1irz h GLN 54 Cb 0.79 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1irz h GLN 54 CO 0.03 0.45 -0.62 0.87 -0.95 0.00 0.00 178.83 178.62 1irz h LYS 55 N 0.00 0.00 -0.13 1.46 1.79 -1.12 -3.21 116.57 115.35 1irz h LYS 55 Ca -0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.28 1irz h LYS 55 Cb 1.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1irz h LYS 55 CO 0.06 0.28 -0.63 0.35 -1.08 0.00 0.00 179.45 178.42 1irz h PHE 56 N 0.00 0.90 -0.57 -1.35 3.57 -0.65 -0.49 116.94 118.35 1irz h PHE 56 Ca -0.03 -0.39 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1irz h PHE 56 Cb 1.28 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1irz h PHE 56 CO 0.00 1.20 0.29 0.00 -2.23 0.00 0.00 178.31 177.57 1irz h ARG 57 N 0.34 0.80 -0.31 1.11 3.08 -1.62 0.91 114.38 118.69 1irz h ARG 57 Ca -0.04 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1irz h ARG 57 Cb 1.27 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1irz h ARG 57 CO 0.13 0.63 -0.08 0.28 -1.07 0.00 0.00 179.97 179.87 1irz h VAL 58 N 0.76 1.22 0.00 2.04 2.07 -1.55 -0.21 116.25 120.58 1irz h VAL 58 Ca 0.20 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1irz h VAL 58 Cb 0.08 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1irz h VAL 58 CO -0.03 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1irz n ALA 59 N -2.48 2.30 1.92 1.67 0.00 -0.20 -3.00 120.51 120.73 1irz n ALA 59 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1irz n ALA 59 Cb 0.29 -1.47 0.44 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.79 0.00 -0.02 0.00 4.77 0.30 -3.10 117.00 117.17 1irz n LEU 60 Ca 0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1irz n LEU 60 Cb 0.37 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 1irz n LEU 60 CO 0.28 0.00 -0.59 1.17 -1.33 0.00 0.00 177.39 176.92 1irz n LYS 61 N -0.74 0.64 -2.89 3.23 4.81 -1.16 -4.41 118.16 117.64 1irz n LYS 61 Ca 0.11 0.15 -0.29 0.00 -0.87 0.00 0.00 58.31 57.41 1irz n LYS 61 Cb 0.05 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.36 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 -2.83 3.58 -3.66 1.64 4.81 -1.18 -4.91 118.16 115.61 1irz n LYS 62 Ca -0.16 -4.83 -0.27 0.00 -0.87 0.00 0.00 58.31 52.17 1irz n LYS 62 Cb 0.94 -2.27 -0.10 0.00 0.02 0.00 0.00 35.03 33.61 1irz n LYS 62 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1irz n VAL 63 N -0.23 1.77 1.78 3.15 3.14 -1.26 -5.09 118.33 121.60 1irz n VAL 63 Ca 0.34 -4.94 0.14 0.00 -2.96 0.00 0.00 64.34 56.92 1irz n VAL 63 Cb 0.37 -2.12 0.85 0.00 -1.06 0.00 0.00 33.84 31.87 1irz n VAL 63 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83