#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 -1.33 -2.81 1.79 0.00 -1.26 -5.01 120.51 111.89 1irz n ALA 2 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 1irz n ALA 2 Cb 0.00 -2.35 0.06 0.00 0.00 0.00 0.00 19.45 17.16 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 -2.08 1.08 -2.47 0.00 1.13 -1.26 -4.95 117.38 108.84 1irz n GLN 3 Ca -0.02 -2.45 -0.03 0.00 -1.94 0.00 0.00 57.00 52.56 1irz n GLN 3 Cb 0.54 -0.94 -0.02 0.00 0.11 0.00 0.00 30.24 29.93 1irz n GLN 3 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1irz n LYS 4 N 0.01 0.11 -2.31 -1.09 4.81 -1.26 -5.09 118.16 113.33 1irz n LYS 4 Ca 0.08 -0.52 -0.00 0.00 -0.87 0.00 0.00 58.31 57.00 1irz n LYS 4 Cb 0.75 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.81 1irz n LYS 4 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1irz n LYS 5 N -0.44 -4.31 -2.13 1.64 4.81 -1.26 -4.94 118.16 111.53 1irz n LYS 5 Ca -0.24 3.12 -0.32 0.00 -0.87 0.00 0.00 58.31 60.00 1irz n LYS 5 Cb 0.61 -4.02 -0.00 0.00 0.02 0.00 0.00 35.03 31.64 1irz n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1irz s PRO 6 N -0.50 3.55 -0.49 1.64 0.04 -1.26 -4.88 135.00 133.10 1irz s PRO 6 Ca -0.01 1.06 -0.46 0.00 0.04 0.00 0.00 61.00 61.63 1irz s PRO 6 Cb 0.00 -2.07 -0.19 0.00 0.04 0.00 0.00 34.50 32.28 1irz s PRO 6 CO 0.02 -0.61 1.79 2.89 0.04 0.00 0.00 177.00 181.12 1irz n ARG 7 N -2.00 0.08 -3.10 4.56 1.85 -1.26 -4.83 116.66 111.96 1irz n ARG 7 Ca 0.08 0.03 -0.45 0.00 -1.00 0.00 0.00 57.85 56.50 1irz n ARG 7 Cb 0.53 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.37 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 4.04 5.00 -0.12 8.89 1.01 -1.26 -4.76 120.40 133.19 1irz s VAL 8 Ca 1.09 -1.63 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1irz s VAL 8 Cb -1.47 -4.60 -0.14 0.00 0.00 0.00 0.00 36.38 30.17 1irz s VAL 8 CO 0.76 -1.25 0.01 -0.11 0.00 0.00 0.00 175.10 174.50 1irz n LEU 9 N 5.76 0.61 -2.70 3.92 7.94 -1.26 -4.90 117.00 126.37 1irz n LEU 9 Ca 0.10 -0.02 -0.06 0.00 -1.11 0.00 0.00 56.01 54.92 1irz n LEU 9 Cb 0.46 0.13 0.07 0.00 0.53 0.00 0.00 43.42 44.61 1irz n LEU 9 CO 0.48 0.39 0.44 0.79 -1.11 0.00 0.00 177.39 178.38 1irz n TRP 10 N -2.54 -1.80 -4.19 1.96 5.03 -1.26 -5.02 117.44 109.62 1irz n TRP 10 Ca -0.21 -1.23 -0.27 0.00 3.03 0.00 0.00 57.50 58.82 1irz n TRP 10 Cb 0.87 1.33 -0.05 0.00 -1.03 0.00 0.00 31.31 32.42 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 0.34 1.88 0.55 -0.99 -4.23 -1.26 -4.94 115.64 106.99 1irz s THR 11 Ca 0.27 -1.70 0.34 0.00 -1.18 0.00 0.00 61.69 59.43 1irz s THR 11 Cb 0.23 -2.58 0.51 0.00 1.34 0.00 0.00 72.50 72.00 1irz s THR 11 CO -0.15 0.00 1.81 0.45 -0.54 0.00 0.00 174.62 176.19 1irz h HIS 12 N 1.21 0.00 0.23 3.99 3.86 -2.01 0.81 115.15 123.23 1irz h HIS 12 Ca -0.41 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1irz h HIS 12 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1irz h HIS 12 CO 0.91 0.00 -0.11 1.49 0.86 0.00 0.00 177.93 181.09 1irz h GLU 13 N 0.00 -0.29 -0.00 2.45 4.81 -2.01 -2.61 114.58 116.93 1irz h GLU 13 Ca 0.48 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1irz h GLU 13 Cb 2.02 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.47 1irz h GLU 13 CO -0.01 0.08 0.07 -0.07 -0.73 0.00 0.00 179.01 178.35 1irz h LEU 14 N -0.76 0.00 -0.05 1.64 3.38 -1.25 -0.17 115.31 118.10 1irz h LEU 14 Ca -0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 1irz h LEU 14 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1irz h LEU 14 CO 0.05 0.00 -1.04 -0.74 0.09 0.00 0.00 178.44 176.80 1irz h HIS 15 N 0.00 0.29 -0.13 1.13 2.76 -0.98 -2.23 115.15 115.98 1irz h HIS 15 Ca 0.00 -0.19 -0.21 0.00 -2.20 0.00 0.00 60.37 57.77 1irz h HIS 15 Cb 0.15 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.10 1irz h HIS 15 CO 0.00 1.09 -0.76 -0.91 -1.30 0.00 0.00 177.93 176.05 1irz h ASN 16 N 0.07 0.79 0.28 3.26 -0.26 -0.67 -1.94 115.58 117.11 1irz h ASN 16 Ca -0.07 -0.52 -0.20 0.00 -0.56 0.00 0.00 56.30 54.96 1irz h ASN 16 Cb 1.75 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 38.77 1irz h ASN 16 CO 0.16 1.30 -0.80 0.11 -1.06 0.00 0.00 177.43 177.13 1irz h LYS 17 N 0.46 0.41 0.00 0.81 1.57 -1.55 -2.32 116.57 115.95 1irz h LYS 17 Ca -0.04 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 1irz h LYS 17 Cb 1.37 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 1irz h LYS 17 CO 0.15 1.02 -0.43 0.35 -0.57 0.00 0.00 179.45 179.97 1irz h PHE 18 N 0.26 0.00 0.25 -1.35 3.57 -1.39 -0.69 116.94 117.59 1irz h PHE 18 Ca -0.05 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.11 1irz h PHE 18 Cb 1.40 0.00 0.04 0.00 2.79 0.00 0.00 35.95 40.18 1irz h PHE 18 CO 0.05 0.43 -1.51 -0.07 -2.23 0.00 0.00 178.31 174.98 1irz h LEU 19 N 0.00 0.82 -0.37 0.59 3.38 -1.26 -2.46 115.31 116.02 1irz h LEU 19 Ca -0.00 -0.91 -0.07 0.00 0.09 0.00 0.00 57.88 56.99 1irz h LEU 19 Cb 0.95 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1irz h LEU 19 CO 0.06 1.72 -0.32 0.00 0.09 0.00 0.00 178.44 179.99 1irz h ALA 20 N 0.16 0.85 0.08 1.53 0.00 -1.39 -1.67 119.26 118.81 1irz h ALA 20 Ca -0.27 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.11 1irz h ALA 20 Cb 2.17 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.93 1irz h ALA 20 CO 0.27 0.40 -0.99 0.00 0.00 0.00 0.00 179.25 178.92 1irz h ALA 21 N 1.68 0.01 -0.20 0.00 0.00 -1.17 -1.55 119.26 118.04 1irz h ALA 21 Ca -0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 1irz h ALA 21 Cb 1.10 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1irz h ALA 21 CO 0.04 0.55 -0.18 0.28 0.00 0.00 0.00 179.25 179.94 1irz h VAL 22 N 0.09 1.33 -0.78 0.00 2.07 -1.44 -3.03 116.25 114.49 1irz h VAL 22 Ca -0.15 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.06 1irz h VAL 22 Cb 1.70 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 1irz h VAL 22 CO 0.19 0.40 0.51 -0.78 0.02 0.00 0.00 177.57 177.92 1irz h ASP 23 N 0.14 0.87 -0.11 0.57 3.58 -1.38 0.59 116.42 120.68 1irz h ASP 23 Ca 0.03 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1irz h ASP 23 Cb 0.72 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1irz h ASP 23 CO 0.05 0.62 0.15 -0.74 -2.88 0.00 0.00 179.24 176.44 1irz h HIS 24 N 1.03 0.00 -0.01 0.28 2.76 -1.17 -0.65 115.15 117.40 1irz h HIS 24 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 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 -0.02 0.00 -0.23 1.28 -1.30 0.00 0.00 177.93 177.66 1irz n LEU 25 N -3.63 1.24 -0.64 0.26 4.77 -0.17 -5.07 117.00 113.77 1irz n LEU 25 Ca -0.00 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1irz n LEU 25 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1irz n LEU 25 CO 0.25 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1irz n GLY 26 N 0.93 -1.51 0.28 -0.72 0.00 0.19 -3.97 105.19 100.40 1irz n GLY 26 Ca 0.04 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.01 1.61 3.04 -1.80 0.84 116.25 119.92 1irz h VAL 27 Ca 0.00 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.47 1irz h VAL 27 Cb 0.00 0.59 0.02 0.00 -2.01 0.00 0.00 31.29 29.89 1irz h VAL 27 CO 0.00 0.00 -0.87 -0.33 -1.01 0.00 0.00 177.57 175.36 1irz h GLU 28 N 0.00 0.61 -0.11 4.17 5.08 -1.90 -3.33 114.58 119.10 1irz h GLU 28 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 1irz h GLU 28 Cb 0.56 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1irz h GLU 28 CO 0.00 1.24 0.00 0.54 -1.00 0.00 0.00 179.01 179.79 1irz n ARG 29 N -3.99 2.45 -2.58 2.33 5.12 -0.16 -5.00 116.66 114.83 1irz n ARG 29 Ca -0.10 -2.16 -0.43 0.00 -1.93 0.00 0.00 57.85 53.23 1irz n ARG 29 Cb 0.80 -1.35 -0.02 0.00 -1.16 0.00 0.00 32.46 30.73 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 -1.88 3.62 0.25 7.54 0.00 0.27 -4.91 121.76 126.65 1irz s ALA 30 Ca 0.21 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.56 1irz s ALA 30 Cb 0.17 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1irz s ALA 30 CO 0.05 -0.99 0.24 0.14 0.00 0.00 0.00 175.76 175.21 1irz s VAL 31 N 3.01 4.65 0.01 0.00 -7.23 -1.26 -4.94 120.40 114.63 1irz s VAL 31 Ca 0.49 -1.29 0.16 0.00 -1.81 0.00 0.00 61.98 59.53 1irz s VAL 31 Cb -0.18 -3.52 0.08 0.00 0.56 0.00 0.00 36.38 33.32 1irz s VAL 31 CO 0.12 -0.34 1.57 1.55 -0.31 0.00 0.00 175.10 177.68 1irz h PRO 32 N 1.40 0.00 0.02 4.82 0.13 -1.94 -2.60 132.00 133.83 1irz h PRO 32 Ca -0.49 0.00 -0.00 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 0.47 -0.01 -0.22 -0.23 0.00 0.00 178.00 178.62 1irz h LYS 33 N 0.00 -0.02 -0.46 0.86 3.11 -1.95 -0.75 116.57 117.37 1irz h LYS 33 Ca -0.00 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.71 1irz h LYS 33 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1irz h LYS 33 CO 0.06 0.39 -0.20 0.87 -2.81 0.00 0.00 179.45 177.76 1irz h LYS 34 N -0.43 0.94 0.00 1.90 1.57 -1.99 -2.14 116.57 116.42 1irz h LYS 34 Ca -0.00 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 1irz h LYS 34 Cb 0.42 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1irz h LYS 34 CO 0.00 1.06 -0.08 0.82 -0.57 0.00 0.00 179.45 180.69 1irz h ILE 35 N 0.78 0.44 -0.79 1.86 2.04 -1.45 -1.03 117.51 119.36 1irz h ILE 35 Ca 0.10 -0.38 0.15 0.00 1.00 0.00 0.00 64.86 65.74 1irz h ILE 35 Cb 0.77 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1irz h ILE 35 CO 0.06 0.07 0.52 0.25 0.00 0.00 0.00 178.15 179.06 1irz h LEU 36 N 0.00 0.46 -0.11 1.44 5.85 -0.42 0.58 115.31 123.11 1irz h LEU 36 Ca -0.00 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 1irz h LEU 36 Cb 0.25 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1irz h LEU 36 CO 0.01 0.23 -0.85 -2.24 -0.34 0.00 0.00 178.44 175.26 1irz h ASP 37 N 0.49 0.00 -0.01 1.25 3.04 -1.28 -1.76 116.42 118.15 1irz h ASP 37 Ca 0.39 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 54.14 1irz h ASP 37 Cb 0.82 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.10 1irz h ASP 37 CO -0.14 0.85 -0.08 -0.07 -2.04 0.00 0.00 179.24 177.76 1irz h LEU 38 N 0.00 0.20 0.13 0.15 3.38 0.21 -3.00 115.31 116.38 1irz h LEU 38 Ca -0.01 -0.03 -0.35 0.00 0.09 0.00 0.00 57.88 57.58 1irz h LEU 38 Cb 1.60 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1irz h LEU 38 CO 0.11 0.32 -1.87 0.24 0.09 0.00 0.00 178.44 177.33 1irz h MET 39 N 0.21 0.27 -2.67 1.13 2.86 -1.09 -3.47 114.93 112.17 1irz h MET 39 Ca 0.05 -0.46 -0.26 0.00 -2.06 0.00 0.00 59.70 56.96 1irz h MET 39 Cb 0.29 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1irz h MET 39 CO 0.01 1.22 -0.29 -1.71 1.06 0.00 0.00 176.91 177.21 1irz n ASN 40 N -3.60 -3.74 -4.80 1.22 5.15 -0.67 -4.90 115.26 103.93 1irz n ASN 40 Ca -0.30 0.24 -0.35 0.00 -0.60 0.00 0.00 54.58 53.57 1irz n ASN 40 Cb 1.02 -3.31 -0.07 0.00 -0.53 0.00 0.00 39.78 36.89 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 -2.39 4.33 0.25 3.44 1.01 -1.26 -5.05 120.40 120.73 1irz s VAL 41 Ca 0.00 1.61 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 1irz s VAL 41 Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1irz s VAL 41 CO 0.00 -0.02 0.59 1.51 0.00 0.00 0.00 175.10 177.18 1irz s ASP 42 N -1.84 6.66 0.00 3.32 -4.77 -1.26 -3.81 116.67 114.97 1irz s ASP 42 Ca 0.54 1.00 0.00 0.00 -3.30 0.00 0.00 52.55 50.78 1irz s ASP 42 Cb -0.15 -2.26 0.00 0.00 -1.09 0.00 0.00 42.92 39.43 1irz s ASP 42 CO 0.20 -0.10 0.00 2.29 0.70 0.00 0.00 175.17 178.26 1irz n LYS 43 N -0.17 0.00 -3.40 2.11 2.85 -1.26 -4.99 118.16 113.31 1irz n LYS 43 Ca 0.01 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.90 1irz n LYS 43 Cb 0.53 -2.23 -0.06 0.00 -0.65 0.00 0.00 35.03 32.62 1irz n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1irz s LEU 44 N 0.00 4.27 0.25 -5.58 1.43 -1.25 -5.08 118.68 112.73 1irz s LEU 44 Ca 0.00 0.71 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1irz s LEU 44 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1irz s LEU 44 CO 0.00 0.04 0.30 0.42 0.23 0.00 0.00 176.35 177.34 1irz s THR 45 N 0.52 4.81 -0.23 5.49 -4.23 -1.26 -4.99 115.64 115.75 1irz s THR 45 Ca 0.23 -1.17 0.22 0.00 -1.18 0.00 0.00 61.69 59.78 1irz s THR 45 Cb -0.14 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 70.32 1irz s THR 45 CO 0.08 -0.32 1.63 0.08 -0.54 0.00 0.00 174.62 175.54 1irz h ARG 46 N 1.29 0.00 0.00 3.99 0.11 -1.98 -3.13 114.38 114.66 1irz h ARG 46 Ca -0.50 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.43 1irz h ARG 46 Cb 1.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 1irz h ARG 46 CO 0.60 0.18 -0.69 0.93 0.10 0.00 0.00 179.97 181.09 1irz h GLU 47 N 0.00 0.00 -0.30 0.08 5.08 -1.97 -0.30 114.58 117.17 1irz h GLU 47 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1irz h GLU 47 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1irz h GLU 47 CO 0.02 0.69 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.40 1irz h ASN 48 N 0.00 0.80 1.22 1.42 -0.26 -1.96 -1.23 115.58 115.57 1irz h ASN 48 Ca -0.01 -0.37 -0.13 0.00 -0.56 0.00 0.00 56.30 55.24 1irz h ASN 48 Cb 1.23 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 38.24 1irz h ASN 48 CO 0.09 1.11 -0.82 0.58 -1.06 0.00 0.00 177.43 177.33 1irz h VAL 49 N 0.61 0.76 0.00 2.81 2.07 -1.59 -3.19 116.25 117.71 1irz h VAL 49 Ca 0.05 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.37 1irz h VAL 49 Cb 0.96 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1irz h VAL 49 CO 0.09 0.43 -0.16 0.00 0.02 0.00 0.00 177.57 177.95 1irz h ALA 50 N 1.47 0.91 0.14 1.67 0.00 -0.91 -2.88 119.26 119.65 1irz h ALA 50 Ca -0.05 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1irz h ALA 50 Cb 1.45 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.24 1irz h ALA 50 CO 0.06 0.20 -0.96 0.77 0.00 0.00 0.00 179.25 179.32 1irz h SER 51 N 0.00 0.61 0.49 0.00 0.02 -1.25 -2.77 113.55 110.65 1irz h SER 51 Ca -0.00 -0.90 -0.06 0.00 -0.84 0.00 0.00 61.79 59.99 1irz h SER 51 Cb 1.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1irz h SER 51 CO 0.02 1.45 -0.29 -0.74 -1.14 0.00 0.00 176.83 176.14 1irz h HIS 52 N -0.14 0.00 -0.07 3.45 6.17 -1.60 -2.20 115.15 120.77 1irz h HIS 52 Ca -0.16 0.00 -0.23 0.00 0.71 0.00 0.00 60.37 60.69 1irz h HIS 52 Cb 1.72 0.00 0.01 0.00 2.52 0.00 0.00 27.41 31.66 1irz h HIS 52 CO 0.16 0.29 -0.89 1.25 0.71 0.00 0.00 177.93 179.46 1irz h LEU 53 N 0.00 0.83 -0.46 0.26 5.85 -1.54 -1.12 115.31 119.13 1irz h LEU 53 Ca -0.00 -0.60 -0.12 0.00 0.84 0.00 0.00 57.88 58.00 1irz h LEU 53 Cb 0.61 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1irz h LEU 53 CO 0.04 1.39 -0.17 1.56 -0.34 0.00 0.00 178.44 180.91 1irz h GLN 54 N 0.42 0.93 -0.04 1.25 4.20 -1.21 -2.21 115.11 118.46 1irz h GLN 54 Ca -0.08 -0.39 -0.14 0.00 0.06 0.00 0.00 58.65 58.10 1irz h GLN 54 Cb 1.52 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 1irz h GLN 54 CO 0.17 1.05 -0.63 0.87 -0.67 0.00 0.00 178.83 179.62 1irz h LYS 55 N 0.77 0.14 -0.41 1.46 1.57 -1.42 -3.04 116.57 115.64 1irz h LYS 55 Ca 0.11 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1irz h LYS 55 Cb 0.74 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1irz h LYS 55 CO 0.06 0.72 0.03 0.35 -0.57 0.00 0.00 179.45 180.04 1irz h PHE 56 N 0.10 0.75 -0.92 -1.35 3.57 -0.99 -0.82 116.94 117.30 1irz h PHE 56 Ca -0.01 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.43 1irz h PHE 56 Cb 1.13 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 1irz h PHE 56 CO 0.01 0.75 0.58 0.00 -2.23 0.00 0.00 178.31 177.43 1irz h ARG 57 N 0.54 1.04 -0.32 1.11 2.47 -1.35 0.69 114.38 118.56 1irz h ARG 57 Ca 0.12 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 1irz h ARG 57 Cb 0.43 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1irz h ARG 57 CO 0.02 0.69 -0.08 0.28 0.56 0.00 0.00 179.97 181.44 1irz h VAL 58 N 1.07 1.22 0.00 2.04 2.07 -1.35 -0.18 116.25 121.12 1irz h VAL 58 Ca 0.39 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1irz h VAL 58 Cb 0.14 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1irz h VAL 58 CO -0.16 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1irz n ALA 59 N -2.48 2.28 0.84 1.67 0.00 0.47 -0.81 120.51 122.48 1irz n ALA 59 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1irz n ALA 59 Cb 0.29 -1.46 0.27 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.82 0.52 0.00 0.00 4.77 0.21 -3.35 117.00 117.33 1irz n LEU 60 Ca 0.06 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1irz n LEU 60 Cb 0.37 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1irz n LEU 60 CO 0.28 0.04 0.22 2.29 -1.33 0.00 0.00 177.39 178.89 1irz n LYS 61 N -1.73 0.39 -0.00 3.23 2.85 -0.99 -4.75 118.16 117.17 1irz n LYS 61 Ca 0.05 -0.54 0.01 0.00 -1.05 0.00 0.00 58.31 56.78 1irz n LYS 61 Cb 0.37 -0.69 -0.02 0.00 -0.65 0.00 0.00 35.03 34.05 1irz n LYS 61 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1irz n LYS 62 N -0.10 4.53 -2.48 -1.58 4.81 0.01 -5.00 118.16 118.35 1irz n LYS 62 Ca 0.00 -0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1irz n LYS 62 Cb 0.28 -0.74 -0.03 0.00 0.02 0.00 0.00 35.03 34.55 1irz n LYS 62 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1irz s VAL 63 N -1.50 4.06 0.00 3.15 0.11 -1.21 -5.02 120.40 119.99 1irz s VAL 63 Ca 0.01 1.57 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 1irz s VAL 63 Cb 0.02 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 1irz s VAL 63 CO 0.12 0.17 0.00 -1.54 -3.33 0.00 0.00 175.10 170.52