#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 3.63 -0.54 6.98 0.00 -1.26 -4.93 121.76 125.63 1irz s ALA 2 Ca 0.00 0.85 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1irz s ALA 2 Cb 0.00 -3.72 0.21 0.00 0.00 0.00 0.00 23.12 19.60 1irz s ALA 2 CO 0.00 -1.36 0.52 1.04 0.00 0.00 0.00 175.76 175.96 1irz n GLN 3 N 7.04 1.30 -3.31 0.00 6.02 -1.26 -4.98 117.38 122.19 1irz n GLN 3 Ca 0.17 -3.89 -0.26 0.00 -0.01 0.00 0.00 57.00 53.01 1irz n GLN 3 Cb 0.43 -1.86 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 1irz n GLN 3 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1irz n LYS 4 N 1.80 0.51 -1.76 -1.09 4.76 -1.26 -5.07 118.16 116.05 1irz n LYS 4 Ca 0.25 -3.26 0.00 0.00 -2.87 0.00 0.00 58.31 52.44 1irz n LYS 4 Cb 0.44 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 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 2.12 -4.97 -2.62 1.97 0.00 -1.26 -4.85 118.16 108.55 1irz n LYS 5 Ca 0.26 3.61 -0.42 0.00 0.00 0.00 0.00 58.31 61.76 1irz n LYS 5 Cb 0.50 -4.00 -0.03 0.00 0.00 0.00 0.00 35.03 31.50 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 -2.57 4.52 0.07 1.64 0.04 -1.26 -4.95 135.00 132.49 1irz s PRO 6 Ca 0.00 1.53 -0.37 0.00 0.04 0.00 0.00 61.00 62.20 1irz s PRO 6 Cb 0.00 -3.43 -0.18 0.00 0.04 0.00 0.00 34.50 30.93 1irz s PRO 6 CO 0.00 -0.11 1.11 2.89 0.04 0.00 0.00 177.00 180.93 1irz n ARG 7 N 3.90 0.52 -3.67 4.56 1.85 -1.26 -4.91 116.66 117.65 1irz n ARG 7 Ca 0.07 0.19 -0.28 0.00 -1.00 0.00 0.00 57.85 56.83 1irz n ARG 7 Cb 0.50 -1.68 -0.12 0.00 -1.05 0.00 0.00 32.46 30.11 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 0.02 1.58 -0.09 8.89 1.01 -1.26 -4.87 120.40 125.68 1irz s VAL 8 Ca 0.84 -3.21 0.11 0.00 0.00 0.00 0.00 61.98 59.71 1irz s VAL 8 Cb -1.08 -2.07 -0.15 0.00 0.00 0.00 0.00 36.38 33.08 1irz s VAL 8 CO 0.53 -1.05 0.10 -0.11 0.00 0.00 0.00 175.10 174.57 1irz n LEU 9 N 2.73 0.00 -2.68 3.92 7.94 -1.26 -4.88 117.00 122.77 1irz n LEU 9 Ca 0.20 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.05 1irz n LEU 9 Cb 0.39 0.21 0.08 0.00 0.53 0.00 0.00 43.42 44.63 1irz n LEU 9 CO 0.20 0.21 0.56 0.79 -1.11 0.00 0.00 177.39 178.04 1irz n TRP 10 N -2.30 -0.96 -4.17 1.96 5.03 -1.26 -5.04 117.44 110.70 1irz n TRP 10 Ca -0.14 -0.89 -0.27 0.00 3.03 0.00 0.00 57.50 59.22 1irz n TRP 10 Cb 0.73 1.19 -0.04 0.00 -1.03 0.00 0.00 31.31 32.16 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 0.18 1.74 0.56 -0.99 -4.23 -1.26 -4.93 115.64 106.71 1irz s THR 11 Ca 0.26 -1.68 0.31 0.00 -1.18 0.00 0.00 61.69 59.40 1irz s THR 11 Cb 0.23 -2.42 0.46 0.00 1.34 0.00 0.00 72.50 72.10 1irz s THR 11 CO -0.12 0.00 1.85 1.12 -0.54 0.00 0.00 174.62 176.92 1irz h HIS 12 N 1.11 0.00 0.22 3.99 2.07 -2.00 -0.05 115.15 120.49 1irz h HIS 12 Ca -0.40 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.10 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 1.00 0.00 -0.11 1.49 -3.07 0.00 0.00 177.93 177.25 1irz h GLU 13 N 0.00 -0.29 0.00 5.12 4.81 -2.01 -2.67 114.58 119.55 1irz h GLU 13 Ca 0.38 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1irz h GLU 13 Cb 1.69 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.13 1irz h GLU 13 CO -0.00 0.08 0.00 -0.07 -0.73 0.00 0.00 179.01 178.29 1irz h LEU 14 N -0.89 0.00 0.00 1.64 3.38 -1.57 -1.16 115.31 116.71 1irz h LEU 14 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1irz h LEU 14 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1irz h LEU 14 CO 0.05 0.00 -0.60 -0.74 0.09 0.00 0.00 178.44 177.24 1irz h HIS 15 N 0.00 0.00 -0.08 1.13 2.76 -0.98 -2.72 115.15 115.26 1irz h HIS 15 Ca 0.00 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 1irz h HIS 15 Cb 0.13 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1irz h HIS 15 CO 0.00 0.54 -0.68 -0.91 -1.30 0.00 0.00 177.93 175.58 1irz h ASN 16 N 0.00 0.41 0.16 3.26 -0.26 -0.85 0.44 115.58 118.73 1irz h ASN 16 Ca -0.02 -0.26 -0.30 0.00 -0.56 0.00 0.00 56.30 55.17 1irz h ASN 16 Cb 1.42 -0.12 0.03 0.00 -1.06 0.00 0.00 38.32 38.59 1irz h ASN 16 CO 0.07 0.97 -1.25 0.11 -1.06 0.00 0.00 177.43 176.27 1irz h LYS 17 N 0.25 0.57 0.00 0.81 1.57 -1.58 -2.31 116.57 115.88 1irz h LYS 17 Ca -0.02 -0.82 -0.04 0.00 -1.87 0.00 0.00 60.65 57.90 1irz h LYS 17 Cb 1.23 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 1irz h LYS 17 CO 0.11 1.38 -0.18 0.35 -0.57 0.00 0.00 179.45 180.54 1irz h PHE 18 N 0.17 0.00 0.17 -1.35 3.57 -1.49 -2.02 116.94 115.99 1irz h PHE 18 Ca -0.20 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 60.98 1irz h PHE 18 Cb 1.94 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.69 1irz h PHE 18 CO 0.13 0.18 -1.50 -0.07 -2.23 0.00 0.00 178.31 174.82 1irz h LEU 19 N 0.00 0.56 -0.34 0.59 3.38 -0.91 -2.84 115.31 115.75 1irz h LEU 19 Ca -0.00 -0.69 -0.09 0.00 0.09 0.00 0.00 57.88 57.19 1irz h LEU 19 Cb 0.84 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1irz h LEU 19 CO 0.02 1.56 -0.43 0.00 0.09 0.00 0.00 178.44 179.69 1irz h ALA 20 N 0.35 0.79 0.00 1.53 0.00 -1.38 -2.36 119.26 118.19 1irz h ALA 20 Ca -0.24 -0.39 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 1irz h ALA 20 Cb 2.06 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.81 1irz h ALA 20 CO 0.20 0.53 -1.04 0.00 0.00 0.00 0.00 179.25 178.94 1irz h ALA 21 N 1.57 0.14 -0.12 0.00 0.00 -1.44 -1.52 119.26 117.89 1irz h ALA 21 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 1irz h ALA 21 Cb 1.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1irz h ALA 21 CO 0.06 0.70 -0.07 0.28 0.00 0.00 0.00 179.25 180.21 1irz h VAL 22 N 0.39 1.32 -0.84 0.00 2.07 -1.49 -2.97 116.25 114.73 1irz h VAL 22 Ca -0.13 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.30 1irz h VAL 22 Cb 1.70 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 1irz h VAL 22 CO 0.20 0.32 0.55 -0.78 0.02 0.00 0.00 177.57 177.88 1irz h ASP 23 N -0.09 0.94 -0.23 0.57 1.82 -1.49 0.49 116.42 118.43 1irz h ASP 23 Ca 0.03 -0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.71 1irz h ASP 23 Cb 0.53 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1irz h ASP 23 CO 0.02 0.67 0.25 -0.74 -1.61 0.00 0.00 179.24 177.82 1irz h HIS 24 N 1.11 0.00 -0.01 0.28 2.76 -1.15 -0.44 115.15 117.71 1irz h HIS 24 Ca 0.32 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1irz h HIS 24 Cb -0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1irz h HIS 24 CO -0.02 0.00 -0.33 1.28 -1.30 0.00 0.00 177.93 177.56 1irz n LEU 25 N -3.82 1.12 -0.69 0.26 4.77 -0.17 -5.07 117.00 113.40 1irz n LEU 25 Ca 0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1irz n LEU 25 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1irz n LEU 25 CO 0.28 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1irz n GLY 26 N 1.06 -1.75 0.30 -0.72 0.00 0.15 -4.00 105.19 100.25 1irz n GLY 26 Ca 0.04 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.06 1.61 3.04 -1.82 0.75 116.25 119.77 1irz h VAL 27 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1irz h VAL 27 Cb 0.00 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 1irz h VAL 27 CO 0.00 0.00 -0.20 -0.08 -1.01 0.00 0.00 177.57 176.28 1irz h GLU 28 N 0.00 0.23 -0.30 4.17 4.81 -1.90 -3.31 114.58 118.27 1irz h GLU 28 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1irz h GLU 28 Cb 0.65 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1irz h GLU 28 CO 0.00 0.80 0.00 0.54 -0.73 0.00 0.00 179.01 179.62 1irz n ARG 29 N -4.56 2.90 -2.75 1.92 1.74 -0.30 -4.99 116.66 110.62 1irz n ARG 29 Ca -0.08 -2.39 -0.41 0.00 -0.77 0.00 0.00 57.85 54.20 1irz n ARG 29 Cb 0.43 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.81 3.25 0.28 7.54 0.00 0.24 -4.92 121.76 126.34 1irz s ALA 30 Ca 0.31 0.55 0.11 0.00 0.00 0.00 0.00 51.96 52.93 1irz s ALA 30 Cb 0.22 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1irz s ALA 30 CO 0.12 -0.03 -0.18 0.14 0.00 0.00 0.00 175.76 175.82 1irz s VAL 31 N 0.04 2.34 -0.01 0.00 -7.23 -1.26 -4.94 120.40 109.34 1irz s VAL 31 Ca 0.46 -2.36 0.19 0.00 -1.81 0.00 0.00 61.98 58.46 1irz s VAL 31 Cb -0.23 -2.30 0.14 0.00 0.56 0.00 0.00 36.38 34.55 1irz s VAL 31 CO 0.29 -0.41 1.63 1.55 -0.31 0.00 0.00 175.10 177.86 1irz h PRO 32 N 2.29 0.00 0.22 4.82 0.13 -1.94 -2.02 132.00 135.48 1irz h PRO 32 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1irz h PRO 32 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1irz h PRO 32 CO 0.61 0.37 -0.10 -0.22 -0.23 0.00 0.00 178.00 178.43 1irz h LYS 33 N 0.00 -0.28 -0.52 0.86 3.11 -1.96 0.85 116.57 118.63 1irz h LYS 33 Ca -0.00 0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.74 1irz h LYS 33 Cb 1.07 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.35 1irz h LYS 33 CO 0.05 0.09 -0.15 0.87 -2.81 0.00 0.00 179.45 177.50 1irz h LYS 34 N -0.74 1.01 0.00 1.90 1.79 -1.99 -2.20 116.57 116.35 1irz h LYS 34 Ca -0.03 -0.40 -0.03 0.00 -2.18 0.00 0.00 60.65 58.01 1irz h LYS 34 Cb 0.50 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1irz h LYS 34 CO 0.05 1.08 -0.16 0.82 -1.08 0.00 0.00 179.45 180.16 1irz h ILE 35 N 0.88 0.75 -0.91 1.86 2.04 -1.38 -1.49 117.51 119.26 1irz h ILE 35 Ca 0.13 -0.65 0.18 0.00 1.00 0.00 0.00 64.86 65.53 1irz h ILE 35 Cb 0.72 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.12 1irz h ILE 35 CO 0.06 0.16 0.59 0.25 0.00 0.00 0.00 178.15 179.20 1irz h LEU 36 N 0.00 0.53 -0.39 1.44 5.85 -0.15 0.69 115.31 123.29 1irz h LEU 36 Ca -0.00 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 1irz h LEU 36 Cb 0.38 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1irz h LEU 36 CO 0.02 0.23 -0.77 0.44 -0.34 0.00 0.00 178.44 178.02 1irz h ASP 37 N 0.54 0.40 -0.50 1.25 5.19 -1.35 -2.11 116.42 119.85 1irz h ASP 37 Ca 0.48 -0.28 0.03 0.00 -0.62 0.00 0.00 57.03 56.64 1irz h ASP 37 Cb 1.00 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1irz h ASP 37 CO -0.21 1.02 0.33 -0.07 -3.12 0.00 0.00 179.24 177.19 1irz h LEU 38 N 0.21 0.49 0.00 1.55 3.38 0.43 -2.93 115.31 118.44 1irz h LEU 38 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1irz h LEU 38 Cb 1.35 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1irz h LEU 38 CO 0.13 0.34 -0.10 0.24 0.09 0.00 0.00 178.44 179.14 1irz h MET 39 N 0.57 0.00 -2.32 1.13 2.86 -1.04 -3.47 114.93 112.67 1irz h MET 39 Ca 0.20 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.60 1irz h MET 39 Cb 0.09 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1irz h MET 39 CO -0.05 0.85 -0.25 -1.71 1.06 0.00 0.00 176.91 176.81 1irz n ASN 40 N -4.62 -3.34 -4.86 1.22 5.15 -0.81 -4.90 115.26 103.11 1irz n ASN 40 Ca -0.10 0.26 -0.31 0.00 -0.60 0.00 0.00 54.58 53.83 1irz n ASN 40 Cb 0.43 -3.04 -0.02 0.00 -0.53 0.00 0.00 39.78 36.62 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 -2.21 4.63 0.22 3.44 1.01 -1.26 -5.04 120.40 121.18 1irz s VAL 41 Ca 0.00 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 1irz s VAL 41 Cb 0.00 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1irz s VAL 41 CO 0.00 -0.86 0.64 1.51 0.00 0.00 0.00 175.10 176.39 1irz s ASP 42 N -3.54 6.86 0.00 3.32 1.47 -1.26 -3.67 116.67 119.84 1irz s ASP 42 Ca 0.56 1.20 0.00 0.00 1.18 0.00 0.00 52.55 55.49 1irz s ASP 42 Cb -0.10 -2.34 0.00 0.00 -0.34 0.00 0.00 42.92 40.14 1irz s ASP 42 CO 0.41 -0.01 0.00 1.17 0.68 0.00 0.00 175.17 177.42 1irz n LYS 43 N 0.41 -0.07 -3.73 2.11 3.00 -1.26 -4.98 118.16 113.64 1irz n LYS 43 Ca -0.02 0.02 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1irz n LYS 43 Cb 0.52 -2.98 -0.12 0.00 0.00 0.00 0.00 35.03 32.44 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 3.70 0.38 3.14 1.43 -1.24 -5.09 118.68 121.01 1irz s LEU 44 Ca 0.00 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1irz s LEU 44 Cb 0.00 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1irz s LEU 44 CO 0.00 -0.11 0.49 0.42 0.23 0.00 0.00 176.35 177.38 1irz s THR 45 N 1.59 3.36 -0.17 5.49 -4.23 -1.26 -4.85 115.64 115.57 1irz s THR 45 Ca 0.05 -1.07 0.24 0.00 -1.18 0.00 0.00 61.69 59.73 1irz s THR 45 Cb -0.16 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 70.82 1irz s THR 45 CO 0.04 -0.07 1.71 -0.09 -0.54 0.00 0.00 174.62 175.67 1irz h ARG 46 N 0.83 0.00 0.00 3.99 2.43 -1.96 -3.08 114.38 116.58 1irz h ARG 46 Ca -0.42 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.56 1irz h ARG 46 Cb 1.27 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1irz h ARG 46 CO 0.50 0.12 -0.86 0.93 -1.51 0.00 0.00 179.97 179.15 1irz h GLU 47 N 0.00 0.00 -0.36 0.20 5.08 -1.95 -0.49 114.58 117.06 1irz h GLU 47 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1irz h GLU 47 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1irz h GLU 47 CO 0.02 0.86 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.78 1irz h ASN 48 N 0.00 0.81 1.25 1.42 -0.26 -1.94 -2.52 115.58 114.34 1irz h ASN 48 Ca -0.01 -0.42 -0.12 0.00 -0.56 0.00 0.00 56.30 55.20 1irz h ASN 48 Cb 1.58 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 38.59 1irz h ASN 48 CO 0.11 1.05 -0.78 0.58 -1.06 0.00 0.00 177.43 177.33 1irz h VAL 49 N 0.57 0.74 0.00 2.81 2.07 -1.60 -3.22 116.25 117.62 1irz h VAL 49 Ca 0.08 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 1irz h VAL 49 Cb 0.75 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1irz h VAL 49 CO 0.06 0.42 -0.03 0.00 0.02 0.00 0.00 177.57 178.04 1irz h ALA 50 N 1.49 1.01 0.20 1.67 0.00 -0.97 -1.20 119.26 121.45 1irz h ALA 50 Ca -0.05 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1irz h ALA 50 Cb 1.43 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.24 1irz h ALA 50 CO 0.06 0.03 -1.24 0.77 0.00 0.00 0.00 179.25 178.87 1irz h SER 51 N 0.00 0.66 0.90 0.00 0.02 -1.46 -2.32 113.55 111.36 1irz h SER 51 Ca -0.00 -0.93 -0.13 0.00 -0.84 0.00 0.00 61.79 59.89 1irz h SER 51 Cb 0.54 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1irz h SER 51 CO 0.00 1.59 -0.64 -0.74 -1.14 0.00 0.00 176.83 175.91 1irz h HIS 52 N -0.09 0.00 0.00 3.45 6.17 -1.60 -2.73 115.15 120.35 1irz h HIS 52 Ca -0.22 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 60.79 1irz h HIS 52 Cb 1.94 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.86 1irz h HIS 52 CO 0.15 0.64 -0.37 1.25 0.71 0.00 0.00 177.93 180.31 1irz h LEU 53 N 0.00 0.00 0.18 0.26 5.85 -1.30 -2.68 115.31 117.62 1irz h LEU 53 Ca -0.01 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1irz h LEU 53 Cb 1.26 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.31 1irz h LEU 53 CO 0.08 0.30 -1.35 1.56 -0.34 0.00 0.00 178.44 178.68 1irz h GLN 54 N 0.00 0.46 0.00 1.25 4.20 -1.29 -2.32 115.11 117.40 1irz h GLN 54 Ca -0.01 -0.75 -0.11 0.00 0.06 0.00 0.00 58.65 57.84 1irz h GLN 54 Cb 1.23 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1irz h GLN 54 CO 0.04 1.35 -0.53 0.87 -0.67 0.00 0.00 178.83 179.88 1irz h LYS 55 N 0.14 0.00 0.04 1.46 1.57 -1.55 -2.77 116.57 115.46 1irz h LYS 55 Ca -0.20 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1irz h LYS 55 Cb 2.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.37 1irz h LYS 55 CO 0.24 0.53 -0.42 0.35 -0.57 0.00 0.00 179.45 179.59 1irz h PHE 56 N 0.00 0.35 -0.82 -1.35 3.57 -1.52 -1.51 116.94 115.66 1irz h PHE 56 Ca -0.01 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.32 1irz h PHE 56 Cb 1.23 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.89 1irz h PHE 56 CO 0.00 1.09 0.52 0.00 -2.23 0.00 0.00 178.31 177.68 1irz h ARG 57 N -0.49 0.95 -0.55 1.11 2.47 -1.47 0.68 114.38 117.08 1irz h ARG 57 Ca -0.06 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.53 1irz h ARG 57 Cb 1.23 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 1irz h ARG 57 CO 0.08 0.63 0.06 0.28 0.56 0.00 0.00 179.97 181.58 1irz h VAL 58 N 0.98 1.25 0.00 2.04 2.07 -1.53 0.11 116.25 121.16 1irz h VAL 58 Ca 0.34 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1irz h VAL 58 Cb 0.08 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1irz h VAL 58 CO -0.14 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1irz n ALA 59 N -2.47 1.98 0.46 1.67 0.00 0.02 -2.52 120.51 119.65 1irz n ALA 59 Ca 0.03 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1irz n ALA 59 Cb 0.29 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.86 0.50 0.05 0.00 4.77 0.22 -3.99 117.00 116.68 1irz n LEU 60 Ca 0.05 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.80 1irz n LEU 60 Cb 0.29 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1irz n LEU 60 CO 0.22 0.09 0.00 0.50 -1.33 0.00 0.00 177.39 176.87 1irz h LYS 61 N 0.00 0.00 0.24 3.23 1.63 -0.58 -3.37 116.57 117.73 1irz h LYS 61 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1irz h LYS 61 Cb 0.77 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1irz h LYS 61 CO 0.00 0.83 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.49 1irz h LYS 62 N 0.00 -0.32 -6.26 1.90 3.64 -1.72 -3.44 116.57 110.38 1irz h LYS 62 Ca -0.08 0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.64 1irz h LYS 62 Cb 1.79 0.07 0.04 0.00 -0.41 0.00 0.00 32.23 33.73 1irz h LYS 62 CO 0.11 -0.21 0.60 1.55 -2.27 0.00 0.00 179.45 179.23 1irz n VAL 63 N -4.58 0.08 -0.60 2.00 3.14 -1.26 -5.16 118.33 111.96 1irz n VAL 63 Ca -0.04 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1irz n VAL 63 Cb 0.13 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.91 1irz n VAL 63 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17