#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 -2.20 -1.83 6.98 0.00 -1.26 -4.78 120.51 117.41 1irz n ALA 2 Ca 0.00 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1irz n ALA 2 Cb 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.56 4.08 -0.67 0.00 2.00 -1.26 -5.02 119.66 117.23 1irz s GLN 3 Ca 0.00 1.04 0.05 0.00 -2.00 0.00 0.00 55.36 54.46 1irz s GLN 3 Cb 0.00 -2.16 0.20 0.00 0.80 0.00 0.00 33.01 31.86 1irz s GLN 3 CO 0.00 -0.16 0.59 1.63 -0.50 0.00 0.00 175.29 176.86 1irz n LYS 4 N -1.11 2.07 -2.57 1.67 4.76 -1.26 -4.95 118.16 116.77 1irz n LYS 4 Ca 0.07 -4.53 -0.05 0.00 -2.87 0.00 0.00 58.31 50.93 1irz n LYS 4 Cb 0.54 -2.25 -0.04 0.00 -1.84 0.00 0.00 35.03 31.43 1irz n LYS 4 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1irz n LYS 5 N 1.53 -4.33 -2.70 1.97 3.00 -1.26 -4.90 118.16 111.46 1irz n LYS 5 Ca 0.24 3.30 -0.43 0.00 -0.00 0.00 0.00 58.31 61.42 1irz n LYS 5 Cb 0.38 -4.98 -0.02 0.00 0.00 0.00 0.00 35.03 30.40 1irz n LYS 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1irz s PRO 6 N -0.80 4.26 -0.15 1.64 0.04 -1.26 -4.43 135.00 134.29 1irz s PRO 6 Ca -0.25 1.29 -0.09 0.00 0.04 0.00 0.00 61.00 62.00 1irz s PRO 6 Cb 0.02 -3.63 0.01 0.00 0.04 0.00 0.00 34.50 30.94 1irz s PRO 6 CO 0.77 -0.58 0.17 0.54 0.04 0.00 0.00 177.00 177.93 1irz n ARG 7 N 6.16 -1.13 -1.63 4.56 1.74 -1.26 -4.59 116.66 120.51 1irz n ARG 7 Ca 0.11 1.23 -0.52 0.00 -0.77 0.00 0.00 57.85 57.90 1irz n ARG 7 Cb 0.46 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 1irz n ARG 7 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1irz n VAL 8 N 0.84 0.38 -0.01 1.55 0.31 -1.26 -4.82 118.33 115.31 1irz n VAL 8 Ca -0.01 -0.14 -0.19 0.00 -0.01 0.00 0.00 64.34 63.99 1irz n VAL 8 Cb 0.47 -1.60 -0.14 0.00 -0.91 0.00 0.00 33.84 31.67 1irz n VAL 8 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1irz n LEU 9 N 7.18 2.41 -2.70 7.52 7.94 -1.26 -4.84 117.00 133.23 1irz n LEU 9 Ca 0.29 0.19 -0.04 0.00 -1.11 0.00 0.00 56.01 55.34 1irz n LEU 9 Cb 0.22 -0.91 0.04 0.00 0.53 0.00 0.00 43.42 43.30 1irz n LEU 9 CO 0.77 0.80 0.37 0.79 -1.11 0.00 0.00 177.39 179.01 1irz n TRP 10 N -3.39 -1.86 -3.97 1.96 5.03 -1.26 -5.03 117.44 108.92 1irz n TRP 10 Ca -0.32 -1.01 -0.26 0.00 3.03 0.00 0.00 57.50 58.95 1irz n TRP 10 Cb 1.04 1.26 -0.03 0.00 -1.03 0.00 0.00 31.31 32.56 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 0.72 1.84 0.66 -0.99 -4.23 -1.26 -4.91 115.64 107.47 1irz s THR 11 Ca 0.27 -1.55 0.40 0.00 -1.18 0.00 0.00 61.69 59.63 1irz s THR 11 Cb 0.13 -2.39 0.40 0.00 1.34 0.00 0.00 72.50 71.98 1irz s THR 11 CO -0.11 0.00 2.24 0.45 -0.54 0.00 0.00 174.62 176.66 1irz h HIS 12 N 0.95 0.00 0.00 3.99 3.86 -2.02 0.03 115.15 121.96 1irz h HIS 12 Ca -0.39 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.82 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 0.91 0.00 -0.14 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 4.22 -2.01 -3.16 114.58 116.08 1irz h GLU 13 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1irz h GLU 13 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1irz h GLU 13 CO -0.00 0.05 0.00 -0.07 -2.18 0.00 0.00 179.01 176.81 1irz h LEU 14 N -1.00 0.00 -0.01 1.64 3.38 -1.88 -0.81 115.31 116.63 1irz h LEU 14 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1irz h LEU 14 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1irz h LEU 14 CO -0.00 0.00 -0.38 -0.74 0.09 0.00 0.00 178.44 177.40 1irz h HIS 15 N 0.00 0.00 0.00 1.13 2.76 -1.10 -3.08 115.15 114.86 1irz h HIS 15 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1irz h HIS 15 Cb 0.11 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 1irz h HIS 15 CO 0.00 0.38 -0.52 -0.91 -1.30 0.00 0.00 177.93 175.58 1irz h ASN 16 N 0.00 0.00 0.04 3.26 4.21 -1.10 0.70 115.58 122.69 1irz h ASN 16 Ca -0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1irz h ASN 16 Cb 1.29 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.50 1irz h ASN 16 CO 0.05 0.52 -0.28 0.11 -1.29 0.00 0.00 177.43 176.54 1irz h LYS 17 N 0.00 0.12 0.00 0.81 1.57 -1.59 -2.48 116.57 114.99 1irz h LYS 17 Ca -0.01 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1irz h LYS 17 Cb 0.99 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1irz h LYS 17 CO 0.07 1.05 -0.11 0.35 -0.57 0.00 0.00 179.45 180.24 1irz h PHE 18 N -0.71 0.00 0.16 -1.35 3.57 -1.55 -1.97 116.94 115.09 1irz h PHE 18 Ca -0.05 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.15 1irz h PHE 18 Cb 1.18 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.95 1irz h PHE 18 CO 0.23 0.11 -1.31 -0.07 -2.23 0.00 0.00 178.31 175.04 1irz h LEU 19 N 0.00 0.83 -0.53 0.59 3.38 -0.89 -2.21 115.31 116.49 1irz h LEU 19 Ca -0.00 -0.81 -0.07 0.00 0.09 0.00 0.00 57.88 57.09 1irz h LEU 19 Cb 0.58 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1irz h LEU 19 CO 0.01 1.62 -0.34 0.00 0.09 0.00 0.00 178.44 179.81 1irz h ALA 20 N 0.28 0.87 0.04 1.53 0.00 -1.27 -1.84 119.26 118.87 1irz h ALA 20 Ca -0.20 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 1irz h ALA 20 Cb 1.99 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.74 1irz h ALA 20 CO 0.25 0.43 -0.73 0.00 0.00 0.00 0.00 179.25 179.19 1irz h ALA 21 N 1.66 0.03 -0.24 0.00 0.00 -1.38 -1.34 119.26 117.99 1irz h ALA 21 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1irz h ALA 21 Cb 1.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1irz h ALA 21 CO 0.04 0.41 0.03 0.28 0.00 0.00 0.00 179.25 180.01 1irz h VAL 22 N -0.10 1.23 -0.51 0.00 2.07 -1.38 -2.51 116.25 115.06 1irz h VAL 22 Ca -0.10 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1irz h VAL 22 Cb 1.46 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1irz h VAL 22 CO 0.14 0.25 0.32 -0.78 0.02 0.00 0.00 177.57 177.52 1irz h ASP 23 N 0.20 0.60 -0.02 0.57 3.58 -1.40 0.50 116.42 120.44 1irz h ASP 23 Ca 0.07 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1irz h ASP 23 Cb 0.34 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 1irz h ASP 23 CO 0.01 0.46 0.03 -0.74 -2.88 0.00 0.00 179.24 176.12 1irz h HIS 24 N 0.68 0.00 -0.01 0.28 2.76 -1.06 -1.18 115.15 116.63 1irz h HIS 24 Ca 0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1irz h HIS 24 Cb -0.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1irz h HIS 24 CO -0.03 0.00 -0.45 1.28 -1.30 0.00 0.00 177.93 177.43 1irz n LEU 25 N -3.52 1.12 -0.85 0.26 4.77 -0.43 -5.07 117.00 113.29 1irz n LEU 25 Ca -0.03 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1irz n LEU 25 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1irz n LEU 25 CO 0.24 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1irz n GLY 26 N 1.18 -2.15 0.30 -0.72 0.00 0.16 -4.16 105.19 99.81 1irz n GLY 26 Ca 0.04 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.23 1.61 3.04 -1.81 0.51 116.25 119.37 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 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1irz h VAL 27 CO 0.00 0.00 0.03 -0.33 -1.01 0.00 0.00 177.57 176.26 1irz h GLU 28 N 0.00 0.38 -0.12 4.17 3.07 -1.90 -3.26 114.58 116.92 1irz h GLU 28 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1irz h GLU 28 Cb 0.65 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1irz h GLU 28 CO 0.00 0.53 0.00 0.54 -1.40 0.00 0.00 179.01 178.68 1irz n ARG 29 N -4.70 2.57 -2.38 2.33 1.74 -0.23 -4.98 116.66 111.01 1irz n ARG 29 Ca -0.04 -2.06 -0.43 0.00 -0.77 0.00 0.00 57.85 54.56 1irz n ARG 29 Cb 0.21 -1.29 -0.02 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 -1.68 3.00 0.31 7.54 0.00 0.16 -4.96 121.76 126.13 1irz s ALA 30 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1irz s ALA 30 Cb 0.14 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 1irz s ALA 30 CO 0.06 -2.51 0.47 0.14 0.00 0.00 0.00 175.76 173.92 1irz s VAL 31 N 5.49 5.14 -0.03 0.00 -7.23 -1.26 -4.92 120.40 117.59 1irz s VAL 31 Ca 0.58 -0.68 0.18 0.00 -1.81 0.00 0.00 61.98 60.25 1irz s VAL 31 Cb -0.12 -3.85 0.12 0.00 0.56 0.00 0.00 36.38 33.08 1irz s VAL 31 CO 0.31 -0.46 1.59 1.55 -0.31 0.00 0.00 175.10 177.78 1irz h PRO 32 N 0.92 0.00 -0.05 4.82 0.13 -1.94 -2.32 132.00 133.56 1irz h PRO 32 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1irz h PRO 32 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1irz h PRO 32 CO 0.61 0.41 -0.04 -0.22 -0.23 0.00 0.00 178.00 178.53 1irz h LYS 33 N 0.00 0.11 -0.27 0.86 3.11 -1.94 0.15 116.57 118.59 1irz h LYS 33 Ca -0.00 -0.06 -0.12 0.00 -2.81 0.00 0.00 60.65 57.66 1irz h LYS 33 Cb 1.14 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1irz h LYS 33 CO 0.05 0.56 -0.28 0.87 -2.81 0.00 0.00 179.45 177.84 1irz h LYS 34 N -0.33 0.67 0.00 1.90 1.79 -1.98 -2.56 116.57 116.06 1irz h LYS 34 Ca 0.01 -0.36 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1irz h LYS 34 Cb 0.54 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1irz h LYS 34 CO 0.01 0.97 -0.14 0.82 -1.08 0.00 0.00 179.45 180.03 1irz h ILE 35 N 0.40 0.57 -0.66 1.86 2.04 -1.44 -1.21 117.51 119.07 1irz h ILE 35 Ca 0.04 -0.63 0.15 0.00 1.00 0.00 0.00 64.86 65.42 1irz h ILE 35 Cb 0.85 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1irz h ILE 35 CO 0.07 0.14 0.45 0.25 0.00 0.00 0.00 178.15 179.06 1irz h LEU 36 N 0.00 0.24 -0.20 1.44 5.85 -0.26 0.60 115.31 122.97 1irz h LEU 36 Ca -0.00 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 1irz h LEU 36 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1irz h LEU 36 CO 0.02 0.13 -0.93 0.44 -0.34 0.00 0.00 178.44 177.76 1irz h ASP 37 N 0.26 0.19 -0.64 1.25 3.32 -1.28 -1.72 116.42 117.79 1irz h ASP 37 Ca 0.32 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1irz h ASP 37 Cb 0.88 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1irz h ASP 37 CO -0.07 1.01 0.42 -0.07 -1.72 0.00 0.00 179.24 178.81 1irz h LEU 38 N 0.07 0.75 0.06 1.55 3.38 0.23 -3.09 115.31 118.25 1irz h LEU 38 Ca -0.04 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1irz h LEU 38 Cb 1.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1irz h LEU 38 CO 0.14 0.55 -1.15 0.24 0.09 0.00 0.00 178.44 178.30 1irz h MET 39 N 0.88 0.12 -2.62 1.13 2.86 -1.27 -3.47 114.93 112.56 1irz h MET 39 Ca 0.24 -0.21 -0.24 0.00 -2.06 0.00 0.00 59.70 57.43 1irz h MET 39 Cb -0.09 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 1irz h MET 39 CO -0.05 1.10 -0.26 -1.71 1.06 0.00 0.00 176.91 177.05 1irz n ASN 40 N -4.19 -3.45 -4.85 1.22 5.15 -0.65 -4.90 115.26 103.59 1irz n ASN 40 Ca -0.25 0.25 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 1irz n ASN 40 Cb 0.76 -3.10 0.00 0.00 -0.53 0.00 0.00 39.78 36.92 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 -2.29 4.50 0.17 3.44 1.01 -1.26 -5.04 120.40 120.93 1irz s VAL 41 Ca 0.00 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 1irz s VAL 41 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1irz s VAL 41 CO 0.00 -0.92 0.55 1.51 0.00 0.00 0.00 175.10 176.24 1irz s ASP 42 N -3.67 6.77 0.00 3.32 -4.77 -1.26 -3.80 116.67 113.26 1irz s ASP 42 Ca 0.57 1.04 0.00 0.00 -3.30 0.00 0.00 52.55 50.86 1irz s ASP 42 Cb -0.11 -2.27 0.00 0.00 -1.09 0.00 0.00 42.92 39.44 1irz s ASP 42 CO 0.46 0.05 0.00 1.17 0.70 0.00 0.00 175.17 177.55 1irz n LYS 43 N 0.55 0.00 -3.23 2.11 4.81 -1.26 -4.96 118.16 116.18 1irz n LYS 43 Ca -0.04 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.97 1irz n LYS 43 Cb 0.52 -2.59 -0.07 0.00 0.02 0.00 0.00 35.03 32.91 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 4.96 0.75 3.14 1.43 -1.25 -5.05 118.68 122.66 1irz s LEU 44 Ca 0.00 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 1irz s LEU 44 Cb 0.00 -2.43 0.12 0.00 0.03 0.00 0.00 46.19 43.91 1irz s LEU 44 CO 0.00 -0.76 1.04 0.42 0.23 0.00 0.00 176.35 177.27 1irz s THR 45 N 2.39 2.18 -0.12 5.49 -4.23 -1.26 -4.90 115.64 115.19 1irz s THR 45 Ca 0.14 -0.45 0.16 0.00 -1.18 0.00 0.00 61.69 60.36 1irz s THR 45 Cb -0.19 -2.73 0.09 0.00 1.34 0.00 0.00 72.50 71.01 1irz s THR 45 CO 0.13 0.00 1.50 0.03 -0.54 0.00 0.00 174.62 175.73 1irz h ARG 46 N -0.68 0.00 0.00 3.99 3.08 -1.97 -3.15 114.38 115.66 1irz h ARG 46 Ca -0.39 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 1irz h ARG 46 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1irz h ARG 46 CO 0.44 0.46 -0.24 1.49 -1.07 0.00 0.00 179.97 181.05 1irz h GLU 47 N 0.00 0.00 -0.16 0.04 4.81 -1.96 -0.72 114.58 116.59 1irz h GLU 47 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1irz h GLU 47 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1irz h GLU 47 CO 0.06 0.24 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.28 1irz h ASN 48 N 0.00 0.62 1.11 1.04 -0.26 -1.93 -1.64 115.58 114.51 1irz h ASN 48 Ca -0.00 -0.57 -0.16 0.00 -0.56 0.00 0.00 56.30 55.01 1irz h ASN 48 Cb 1.01 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 38.06 1irz h ASN 48 CO 0.03 1.08 -0.93 0.58 -1.06 0.00 0.00 177.43 177.13 1irz h VAL 49 N 0.19 0.94 0.00 2.81 2.07 -1.62 -3.23 116.25 117.41 1irz h VAL 49 Ca -0.00 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 1irz h VAL 49 Cb 1.00 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1irz h VAL 49 CO 0.09 0.53 -0.00 0.00 0.02 0.00 0.00 177.57 178.21 1irz h ALA 50 N 1.34 1.00 0.06 1.67 0.00 -1.14 -3.06 119.26 119.13 1irz h ALA 50 Ca -0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1irz h ALA 50 Cb 1.56 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.37 1irz h ALA 50 CO 0.07 0.00 -0.57 0.77 0.00 0.00 0.00 179.25 179.53 1irz h SER 51 N 0.00 0.39 0.18 0.00 0.02 -1.31 -2.70 113.55 110.13 1irz h SER 51 Ca -0.00 -0.88 -0.02 0.00 -0.84 0.00 0.00 61.79 60.06 1irz h SER 51 Cb 0.81 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 1irz h SER 51 CO 0.00 1.23 -0.09 -0.74 -1.14 0.00 0.00 176.83 176.09 1irz h HIS 52 N -0.39 0.00 0.00 3.45 6.17 -1.59 -0.77 115.15 122.02 1irz h HIS 52 Ca -0.09 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 60.94 1irz h HIS 52 Cb 1.37 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.29 1irz h HIS 52 CO 0.19 0.09 -0.33 1.25 0.71 0.00 0.00 177.93 179.84 1irz h LEU 53 N 0.00 0.00 -0.07 0.26 5.85 -1.54 -3.00 115.31 116.82 1irz h LEU 53 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1irz h LEU 53 Cb 0.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1irz h LEU 53 CO 0.01 0.23 -0.90 1.56 -0.34 0.00 0.00 178.44 179.00 1irz h GLN 54 N 0.00 0.00 0.00 1.25 4.20 -0.81 -2.57 115.11 117.19 1irz h GLN 54 Ca -0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1irz h GLN 54 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1irz h GLN 54 CO 0.03 0.90 -0.71 0.87 -0.67 0.00 0.00 178.83 179.24 1irz h LYS 55 N 0.00 0.00 0.03 1.46 1.57 -1.49 -3.05 116.57 115.09 1irz h LYS 55 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1irz h LYS 55 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1irz h LYS 55 CO 0.12 0.41 -0.28 0.35 -0.57 0.00 0.00 179.45 179.48 1irz h PHE 56 N 0.00 0.13 -0.97 -1.35 3.57 -1.55 -2.44 116.94 114.34 1irz h PHE 56 Ca -0.04 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.44 1irz h PHE 56 Cb 1.40 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.06 1irz h PHE 56 CO 0.00 1.11 0.61 -0.09 -2.23 0.00 0.00 178.31 177.71 1irz h ARG 57 N -0.84 1.04 -0.05 1.11 2.43 -1.59 0.69 114.38 117.17 1irz h ARG 57 Ca -0.06 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1irz h ARG 57 Cb 1.18 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1irz h ARG 57 CO 0.02 0.69 -0.26 0.28 -1.51 0.00 0.00 179.97 179.19 1irz h VAL 58 N 1.08 1.21 0.00 0.20 2.07 -1.61 -0.30 116.25 118.91 1irz h VAL 58 Ca 0.44 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1irz h VAL 58 Cb 0.25 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1irz h VAL 58 CO -0.20 0.29 -0.19 0.00 0.02 0.00 0.00 177.57 177.49 1irz n ALA 59 N -2.48 2.65 0.57 1.67 0.00 0.12 -3.20 120.51 119.83 1irz n ALA 59 Ca -0.02 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1irz n ALA 59 Cb 0.34 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.77 3.07 0.01 0.00 4.77 0.20 -2.76 117.00 120.51 1irz n LEU 60 Ca 0.06 -1.28 0.11 0.00 -0.03 0.00 0.00 56.01 54.86 1irz n LEU 60 Cb 0.38 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1irz n LEU 60 CO 0.31 0.64 0.03 2.29 -1.33 0.00 0.00 177.39 179.33 1irz n LYS 61 N 1.25 0.15 0.00 3.23 2.85 -0.95 -4.55 118.16 120.14 1irz n LYS 61 Ca 0.18 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1irz n LYS 61 Cb 0.55 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1irz n LYS 61 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1irz n LYS 62 N -1.72 1.34 -1.11 -1.58 0.00 -1.26 -5.07 118.16 108.76 1irz n LYS 62 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.99 1irz n LYS 62 Cb 0.39 -0.74 0.09 0.00 -0.00 0.00 0.00 35.03 34.77 1irz n LYS 62 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1irz n VAL 63 N -1.46 1.41 1.87 0.58 3.14 -1.11 -5.17 118.33 117.59 1irz n VAL 63 Ca 0.00 -0.31 0.15 0.00 -2.96 0.00 0.00 64.34 61.22 1irz n VAL 63 Cb 0.24 -0.81 0.89 0.00 -1.06 0.00 0.00 33.84 33.10 1irz n VAL 63 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17