#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 1.81 0.24 6.98 0.00 -1.26 -5.06 121.76 124.47 1irz s ALA 2 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 51.96 49.39 1irz s ALA 2 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1irz s ALA 2 CO 0.00 -2.04 0.00 1.04 0.00 0.00 0.00 175.76 174.76 1irz n GLN 3 N 3.09 -2.10 -3.44 0.00 6.02 -1.26 -4.92 117.38 114.77 1irz n GLN 3 Ca 0.21 1.56 -0.26 0.00 -0.01 0.00 0.00 57.00 58.49 1irz n GLN 3 Cb 0.41 -1.75 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 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 -0.90 1.49 -2.82 -1.09 5.02 -1.26 -5.00 118.16 113.59 1irz n LYS 4 Ca 0.00 -3.98 -0.03 0.00 -2.02 0.00 0.00 58.31 52.28 1irz n LYS 4 Cb 0.00 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.12 1irz n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1irz n LYS 5 N 1.55 -3.09 -2.60 1.97 4.81 -1.26 -4.83 118.16 114.71 1irz n LYS 5 Ca 0.25 2.45 -0.43 0.00 -0.87 0.00 0.00 58.31 59.72 1irz n LYS 5 Cb 0.44 -3.20 -0.02 0.00 0.02 0.00 0.00 35.03 32.28 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 -0.43 3.96 -0.04 1.64 0.04 -1.26 -4.58 135.00 134.33 1irz s PRO 6 Ca -0.15 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 61.82 1irz s PRO 6 Cb 0.01 -3.80 0.01 0.00 0.04 0.00 0.00 34.50 30.77 1irz s PRO 6 CO 0.44 -1.05 0.07 0.54 0.04 0.00 0.00 177.00 177.04 1irz n ARG 7 N 7.17 -3.36 -3.10 4.56 1.74 -1.26 -4.85 116.66 117.56 1irz n ARG 7 Ca 0.12 2.51 -0.42 0.00 -0.77 0.00 0.00 57.85 59.30 1irz n ARG 7 Cb 0.47 -3.33 -0.06 0.00 -1.02 0.00 0.00 32.46 28.52 1irz n ARG 7 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1irz s VAL 8 N -0.40 4.87 -0.16 1.55 1.01 -1.26 -4.87 120.40 121.13 1irz s VAL 8 Ca -0.08 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.54 1irz s VAL 8 Cb 0.01 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 1irz s VAL 8 CO 0.22 -0.35 -0.08 -0.11 0.00 0.00 0.00 175.10 174.78 1irz n LEU 9 N 6.10 1.78 -2.70 3.92 7.94 -1.26 -4.91 117.00 127.88 1irz n LEU 9 Ca -0.01 -0.06 -0.06 0.00 -1.11 0.00 0.00 56.01 54.78 1irz n LEU 9 Cb 0.48 -0.24 0.06 0.00 0.53 0.00 0.00 43.42 44.26 1irz n LEU 9 CO 0.50 0.62 0.45 0.79 -1.11 0.00 0.00 177.39 178.64 1irz n TRP 10 N -2.83 -1.55 -4.19 1.96 5.03 -1.26 -5.04 117.44 109.56 1irz n TRP 10 Ca -0.28 -1.07 -0.28 0.00 3.03 0.00 0.00 57.50 58.90 1irz n TRP 10 Cb 0.89 1.26 -0.05 0.00 -1.03 0.00 0.00 31.31 32.39 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 0.35 1.72 0.63 -0.99 -4.23 -1.26 -4.94 115.64 106.92 1irz s THR 11 Ca 0.28 -1.69 0.30 0.00 -1.18 0.00 0.00 61.69 59.41 1irz s THR 11 Cb 0.21 -2.41 0.34 0.00 1.34 0.00 0.00 72.50 71.99 1irz s THR 11 CO -0.14 0.00 1.98 -0.74 -0.54 0.00 0.00 174.62 175.18 1irz h HIS 12 N 1.11 0.00 0.08 3.99 2.76 -2.02 -0.32 115.15 120.76 1irz h HIS 12 Ca -0.41 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1irz h HIS 12 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1irz h HIS 12 CO 1.02 0.00 -0.04 1.49 -1.30 0.00 0.00 177.93 179.10 1irz h GLU 13 N 0.00 -0.11 0.00 5.26 4.81 -2.01 -3.09 114.58 119.44 1irz h GLU 13 Ca 0.08 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1irz h GLU 13 Cb 0.74 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1irz h GLU 13 CO -0.00 -0.07 0.11 -0.07 -0.73 0.00 0.00 179.01 178.25 1irz h LEU 14 N -0.90 0.00 -0.30 1.64 3.38 -1.83 -0.12 115.31 117.19 1irz h LEU 14 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1irz h LEU 14 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1irz h LEU 14 CO 0.02 0.00 -0.86 -0.74 0.09 0.00 0.00 178.44 176.95 1irz h HIS 15 N 0.00 0.31 -0.02 1.13 2.76 -1.12 -2.74 115.15 115.48 1irz h HIS 15 Ca 0.00 -0.17 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 1irz h HIS 15 Cb 0.22 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1irz h HIS 15 CO 0.00 0.97 -0.36 -0.91 -1.30 0.00 0.00 177.93 176.33 1irz h ASN 16 N 0.12 0.04 0.32 3.26 4.21 -0.92 -0.23 115.58 122.37 1irz h ASN 16 Ca -0.04 -0.01 -0.29 0.00 1.21 0.00 0.00 56.30 57.16 1irz h ASN 16 Cb 1.48 -0.01 0.02 0.00 -1.12 0.00 0.00 38.32 38.70 1irz h ASN 16 CO 0.13 0.40 -1.27 0.11 -1.29 0.00 0.00 177.43 175.51 1irz h LYS 17 N 0.03 0.49 0.00 0.81 1.57 -1.53 -2.46 116.57 115.48 1irz h LYS 17 Ca 0.00 -0.72 -0.05 0.00 -1.87 0.00 0.00 60.65 58.01 1irz h LYS 17 Cb 0.66 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1irz h LYS 17 CO 0.05 1.32 -0.24 0.35 -0.57 0.00 0.00 179.45 180.36 1irz h PHE 18 N 0.19 0.00 0.15 -1.35 3.57 -1.29 -2.09 116.94 116.11 1irz h PHE 18 Ca -0.18 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.01 1irz h PHE 18 Cb 1.96 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.70 1irz h PHE 18 CO 0.10 0.24 -1.46 -0.07 -2.23 0.00 0.00 178.31 174.89 1irz h LEU 19 N 0.00 0.49 -0.34 0.59 3.38 -1.06 -2.67 115.31 115.70 1irz h LEU 19 Ca -0.00 -0.61 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 1irz h LEU 19 Cb 0.95 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1irz h LEU 19 CO 0.03 1.49 -0.39 0.00 0.09 0.00 0.00 178.44 179.67 1irz h ALA 20 N 0.43 0.81 0.03 1.53 0.00 -1.42 -1.73 119.26 118.91 1irz h ALA 20 Ca -0.22 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 1irz h ALA 20 Cb 2.04 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.78 1irz h ALA 20 CO 0.19 0.49 -0.76 0.00 0.00 0.00 0.00 179.25 179.17 1irz h ALA 21 N 1.61 0.05 -0.24 0.00 0.00 -1.44 -1.35 119.26 117.89 1irz h ALA 21 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1irz h ALA 21 Cb 1.16 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1irz h ALA 21 CO 0.05 0.43 -0.04 0.28 0.00 0.00 0.00 179.25 179.97 1irz h VAL 22 N -0.04 1.28 -0.66 0.00 2.07 -1.48 -2.81 116.25 114.60 1irz h VAL 22 Ca -0.10 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1irz h VAL 22 Cb 1.48 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1irz h VAL 22 CO 0.15 0.32 0.43 -0.78 0.02 0.00 0.00 177.57 177.70 1irz h ASP 23 N 0.20 0.73 -0.04 0.57 3.58 -1.38 0.98 116.42 121.05 1irz h ASP 23 Ca 0.06 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.51 1irz h ASP 23 Cb 0.50 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 1irz h ASP 23 CO 0.02 0.52 0.08 -0.74 -2.88 0.00 0.00 179.24 176.24 1irz h HIS 24 N 0.86 0.00 -0.01 0.28 2.76 -1.07 -0.92 115.15 117.05 1irz h HIS 24 Ca 0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 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 -0.03 0.00 -0.06 1.28 -1.30 0.00 0.00 177.93 177.82 1irz n LEU 25 N -3.51 1.49 -0.97 0.26 4.77 -0.12 -5.07 117.00 113.86 1irz n LEU 25 Ca -0.02 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1irz n LEU 25 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1irz n LEU 25 CO 0.24 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1irz n GLY 26 N 0.60 -2.32 0.29 -0.72 0.00 0.32 -4.08 105.19 99.28 1irz n GLY 26 Ca 0.04 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.19 1.61 3.04 -1.78 0.59 116.25 119.52 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 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1irz h VAL 27 CO 0.00 0.00 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.46 1irz h GLU 28 N 0.00 0.34 -0.11 4.17 4.57 -1.89 -3.28 114.58 118.38 1irz h GLU 28 Ca 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1irz h GLU 28 Cb 0.52 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1irz h GLU 28 CO 0.00 0.57 0.00 0.54 -1.18 0.00 0.00 179.01 178.94 1irz n ARG 29 N -4.68 2.52 -2.19 1.92 3.00 -0.40 -5.01 116.66 111.81 1irz n ARG 29 Ca -0.05 -2.08 -0.42 0.00 -0.01 0.00 0.00 57.85 55.29 1irz n ARG 29 Cb 0.24 -1.31 -0.03 0.00 0.00 0.00 0.00 32.46 31.37 1irz n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1irz s ALA 30 N -1.75 3.59 0.26 7.54 0.00 0.19 -4.96 121.76 126.63 1irz s ALA 30 Ca 0.19 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1irz s ALA 30 Cb 0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1irz s ALA 30 CO 0.05 -0.90 0.09 0.14 0.00 0.00 0.00 175.76 175.14 1irz s VAL 31 N 2.30 3.91 -0.30 0.00 -7.23 -1.26 -4.95 120.40 112.87 1irz s VAL 31 Ca 0.65 -1.68 0.27 0.00 -1.81 0.00 0.00 61.98 59.41 1irz s VAL 31 Cb -0.33 -3.11 0.35 0.00 0.56 0.00 0.00 36.38 33.86 1irz s VAL 31 CO 0.27 -0.36 1.75 1.55 -0.31 0.00 0.00 175.10 178.00 1irz h PRO 32 N 1.70 0.00 0.25 4.82 0.13 -1.91 -2.44 132.00 134.55 1irz h PRO 32 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1irz h PRO 32 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1irz h PRO 32 CO 0.61 0.00 -0.12 -0.22 -0.23 0.00 0.00 178.00 178.04 1irz h LYS 33 N 0.00 -0.32 -0.48 0.86 3.11 -1.95 0.19 116.57 117.98 1irz h LYS 33 Ca 0.00 0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.74 1irz h LYS 33 Cb 0.79 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 1irz h LYS 33 CO 0.00 0.04 -0.20 0.87 -2.81 0.00 0.00 179.45 177.36 1irz h LYS 34 N -0.86 0.97 0.00 1.90 1.57 -1.99 -2.21 116.57 115.95 1irz h LYS 34 Ca -0.03 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1irz h LYS 34 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1irz h LYS 34 CO 0.06 1.07 -0.21 0.82 -0.57 0.00 0.00 179.45 180.61 1irz h ILE 35 N 0.84 0.69 -0.94 1.86 2.04 -1.48 -2.09 117.51 118.42 1irz h ILE 35 Ca 0.11 -0.92 0.15 0.00 1.00 0.00 0.00 64.86 65.20 1irz h ILE 35 Cb 0.76 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 38.34 1irz h ILE 35 CO 0.06 0.21 0.60 0.25 0.00 0.00 0.00 178.15 179.27 1irz h LEU 36 N 0.00 0.74 -0.40 1.44 5.85 0.04 0.46 115.31 123.43 1irz h LEU 36 Ca -0.00 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 1irz h LEU 36 Cb 0.56 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1irz h LEU 36 CO 0.03 0.36 -0.71 0.44 -0.34 0.00 0.00 178.44 178.22 1irz h ASP 37 N 0.78 0.54 -0.34 1.25 5.19 -1.42 -2.56 116.42 119.85 1irz h ASP 37 Ca 0.49 -0.35 0.07 0.00 -0.62 0.00 0.00 57.03 56.62 1irz h ASP 37 Cb 0.71 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1irz h ASP 37 CO -0.25 1.08 0.24 -0.07 -3.12 0.00 0.00 179.24 177.12 1irz h LEU 38 N 0.32 0.15 0.00 1.55 3.38 -0.02 -2.79 115.31 117.91 1irz h LEU 38 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1irz h LEU 38 Cb 1.28 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1irz h LEU 38 CO 0.12 0.10 -0.00 0.24 0.09 0.00 0.00 178.44 178.99 1irz h MET 39 N 0.17 -0.00 -2.81 1.13 2.86 -0.88 -3.47 114.93 111.93 1irz h MET 39 Ca 0.16 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.47 1irz h MET 39 Cb 0.40 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 1irz h MET 39 CO -0.02 0.67 -0.38 -1.71 1.06 0.00 0.00 176.91 176.53 1irz n ASN 40 N -4.67 -4.59 -4.90 1.22 4.05 -0.99 -4.93 115.26 100.45 1irz n ASN 40 Ca -0.07 0.19 -0.28 0.00 0.45 0.00 0.00 54.58 54.87 1irz n ASN 40 Cb 0.32 -3.95 -0.02 0.00 1.23 0.00 0.00 39.78 37.37 1irz n ASN 40 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1irz s VAL 41 N -2.66 4.91 0.07 3.44 1.01 -1.26 -5.06 120.40 120.84 1irz s VAL 41 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1irz s VAL 41 Cb 0.00 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1irz s VAL 41 CO 0.00 -0.64 0.53 -0.62 0.00 0.00 0.00 175.10 174.37 1irz s ASP 42 N -3.66 6.97 0.00 3.32 -1.08 -1.26 -3.82 116.67 117.14 1irz s ASP 42 Ca 0.47 1.17 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 1irz s ASP 42 Cb -0.10 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1irz s ASP 42 CO 0.38 0.26 0.00 2.29 0.52 0.00 0.00 175.17 178.61 1irz n LYS 43 N 1.58 0.00 -3.32 4.34 2.85 -1.26 -5.00 118.16 117.34 1irz n LYS 43 Ca -0.10 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.77 1irz n LYS 43 Cb 0.51 -1.59 -0.06 0.00 -0.65 0.00 0.00 35.03 33.24 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 4.44 0.33 -5.58 1.43 -1.25 -5.08 118.68 112.98 1irz s LEU 44 Ca 0.00 1.09 0.09 0.00 -1.03 0.00 0.00 54.13 54.28 1irz s LEU 44 Cb 0.00 -2.79 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1irz s LEU 44 CO 0.00 0.20 0.06 0.42 0.23 0.00 0.00 176.35 177.25 1irz s THR 45 N -0.57 2.88 0.13 5.49 -4.23 -1.26 -4.93 115.64 113.15 1irz s THR 45 Ca 0.28 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1irz s THR 45 Cb -0.18 -2.87 -0.20 0.00 1.34 0.00 0.00 72.50 70.60 1irz s THR 45 CO 0.16 -0.22 1.30 -0.09 -0.54 0.00 0.00 174.62 175.23 1irz h ARG 46 N 1.72 0.08 0.00 3.99 2.43 -1.96 -3.14 114.38 117.50 1irz h ARG 46 Ca -0.43 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.59 1irz h ARG 46 Cb 1.25 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1irz h ARG 46 CO 0.65 1.00 -0.14 0.93 -1.51 0.00 0.00 179.97 180.89 1irz h GLU 47 N 0.03 0.00 -0.15 0.20 5.08 -1.96 -1.64 114.58 116.15 1irz h GLU 47 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1irz h GLU 47 Cb 1.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 1irz h GLU 47 CO 0.14 0.14 -0.64 -0.91 -1.00 0.00 0.00 179.01 176.74 1irz h ASN 48 N 0.00 0.64 1.10 1.42 4.21 -1.96 -2.83 115.58 118.16 1irz h ASN 48 Ca -0.00 -0.37 -0.16 0.00 1.21 0.00 0.00 56.30 56.97 1irz h ASN 48 Cb 0.61 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1irz h ASN 48 CO 0.02 1.11 -0.95 0.58 -1.29 0.00 0.00 177.43 176.90 1irz h VAL 49 N 0.41 1.02 0.00 2.81 2.07 -1.56 -3.21 116.25 117.78 1irz h VAL 49 Ca -0.01 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 64.96 1irz h VAL 49 Cb 1.21 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1irz h VAL 49 CO 0.12 0.58 -0.01 0.00 0.02 0.00 0.00 177.57 178.28 1irz h ALA 50 N 1.30 1.00 0.01 1.67 0.00 -1.24 -3.07 119.26 118.93 1irz h ALA 50 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1irz h ALA 50 Cb 1.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1irz h ALA 50 CO 0.08 0.01 -0.00 0.77 0.00 0.00 0.00 179.25 180.11 1irz h SER 51 N 0.00 -0.01 -0.49 0.00 0.02 -1.50 -2.68 113.55 108.90 1irz h SER 51 Ca -0.00 -0.62 0.14 0.00 -0.84 0.00 0.00 61.79 60.47 1irz h SER 51 Cb 0.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1irz h SER 51 CO 0.00 0.62 0.39 -0.74 -1.14 0.00 0.00 176.83 175.96 1irz h HIS 52 N -0.65 0.00 -0.07 3.45 6.17 -1.65 0.26 115.15 122.66 1irz h HIS 52 Ca -0.00 0.00 -0.19 0.00 0.71 0.00 0.00 60.37 60.89 1irz h HIS 52 Cb 0.63 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.55 1irz h HIS 52 CO 0.14 0.00 -0.76 1.25 0.71 0.00 0.00 177.93 179.27 1irz h LEU 53 N 0.00 0.51 -1.17 0.26 5.85 -1.50 -3.08 115.31 116.18 1irz h LEU 53 Ca 0.23 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1irz h LEU 53 Cb 1.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1irz h LEU 53 CO -0.00 1.10 0.10 1.56 -0.34 0.00 0.00 178.44 180.85 1irz h GLN 54 N 0.28 0.68 -0.51 1.25 4.20 -0.16 -1.62 115.11 119.23 1irz h GLN 54 Ca -0.04 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.63 1irz h GLN 54 Cb 1.35 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 1irz h GLN 54 CO 0.13 0.63 0.35 0.87 -0.67 0.00 0.00 178.83 180.14 1irz h LYS 55 N 0.66 0.31 -0.04 1.46 1.57 -1.36 -1.47 116.57 117.70 1irz h LYS 55 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1irz h LYS 55 Cb 0.27 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1irz h LYS 55 CO -0.00 0.21 -0.03 0.35 -0.57 0.00 0.00 179.45 179.41 1irz h PHE 56 N 0.32 0.11 -0.95 -1.35 3.57 -1.37 -1.23 116.94 116.05 1irz h PHE 56 Ca 0.23 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.87 1irz h PHE 56 Cb 0.50 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 1irz h PHE 56 CO -0.00 0.53 0.60 0.00 -2.23 0.00 0.00 178.31 177.21 1irz h ARG 57 N -0.35 0.70 -0.63 1.11 3.08 -1.20 0.62 114.38 117.72 1irz h ARG 57 Ca 0.01 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1irz h ARG 57 Cb 0.51 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1irz h ARG 57 CO 0.01 0.47 0.16 0.28 -1.07 0.00 0.00 179.97 179.82 1irz h VAL 58 N 0.73 1.25 0.00 2.04 2.07 -1.04 0.05 116.25 121.34 1irz h VAL 58 Ca 0.50 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1irz h VAL 58 Cb 0.80 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1irz h VAL 58 CO -0.26 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1irz n ALA 59 N -2.42 1.76 0.67 1.67 0.00 0.17 -1.90 120.51 120.46 1irz n ALA 59 Ca 0.04 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1irz n ALA 59 Cb 0.24 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.89 0.63 0.01 0.00 4.77 0.13 -3.98 117.00 116.67 1irz n LEU 60 Ca 0.03 0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1irz n LEU 60 Cb 0.23 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1irz n LEU 60 CO 0.19 0.03 0.66 0.50 -1.33 0.00 0.00 177.39 177.43 1irz h LYS 61 N 0.00 0.50 -1.05 3.23 3.64 -0.63 -2.72 116.57 119.54 1irz h LYS 61 Ca 0.00 -0.22 0.30 0.00 -1.27 0.00 0.00 60.65 59.46 1irz h LYS 61 Cb 0.68 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1irz h LYS 61 CO 0.00 0.78 0.98 1.57 -2.27 0.00 0.00 179.45 180.51 1irz h LYS 62 N 0.42 0.00 -6.98 1.90 5.09 -1.70 -3.39 116.57 111.91 1irz h LYS 62 Ca 0.05 0.00 -0.55 0.00 0.09 0.00 0.00 60.65 60.24 1irz h LYS 62 Cb 0.80 0.00 0.12 0.00 0.10 0.00 0.00 32.23 33.25 1irz h LYS 62 CO 0.06 0.00 0.72 1.55 -2.09 0.00 0.00 179.45 179.69 1irz n VAL 63 N -3.65 2.63 1.26 0.07 3.14 -1.03 -5.21 118.33 115.55 1irz n VAL 63 Ca 0.23 -0.50 0.10 0.00 -2.96 0.00 0.00 64.34 61.21 1irz n VAL 63 Cb 1.31 -1.88 0.60 0.00 -1.06 0.00 0.00 33.84 32.82 1irz n VAL 63 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13