#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 3.72 -0.00 6.98 0.00 -1.26 -4.80 121.76 126.40 1irz s ALA 2 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 1irz s ALA 2 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1irz s ALA 2 CO 0.00 0.38 0.02 1.04 0.00 0.00 0.00 175.76 177.20 1irz n GLN 3 N 2.54 -3.54 -0.63 0.00 3.00 -1.26 -4.96 117.38 112.53 1irz n GLN 3 Ca -0.15 2.73 -0.29 0.00 -0.01 0.00 0.00 57.00 59.27 1irz n GLN 3 Cb 0.53 -3.45 0.26 0.00 0.00 0.00 0.00 30.24 27.58 1irz n GLN 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1irz s LYS 4 N -1.03 -1.62 -0.15 -1.09 2.36 -1.26 -4.62 119.74 112.33 1irz s LYS 4 Ca -0.02 0.39 -0.11 0.00 -2.55 0.00 0.00 55.97 53.69 1irz s LYS 4 Cb 0.00 -1.51 0.04 0.00 -1.05 0.00 0.00 37.83 35.31 1irz s LYS 4 CO 0.06 -4.07 0.21 1.17 1.55 0.00 0.00 175.35 174.26 1irz n LYS 5 N -5.10 -4.26 -2.57 4.03 4.81 -1.26 -4.94 118.16 108.88 1irz n LYS 5 Ca 0.08 3.22 -0.33 0.00 -0.87 0.00 0.00 58.31 60.41 1irz n LYS 5 Cb 0.58 -4.53 -0.04 0.00 0.02 0.00 0.00 35.03 31.05 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 -0.58 3.90 -0.46 1.64 0.04 -1.26 -4.87 135.00 133.40 1irz s PRO 6 Ca -0.24 1.24 -0.42 0.00 0.04 0.00 0.00 61.00 61.62 1irz s PRO 6 Cb 0.02 -2.12 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 1irz s PRO 6 CO 0.65 -0.33 2.13 2.89 0.04 0.00 0.00 177.00 182.39 1irz n ARG 7 N -1.02 0.26 -3.22 4.56 1.85 -1.26 -4.85 116.66 112.98 1irz n ARG 7 Ca 0.08 0.07 -0.44 0.00 -1.00 0.00 0.00 57.85 56.57 1irz n ARG 7 Cb 0.53 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 30.14 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 6.20 4.97 -0.17 8.89 1.01 -1.26 -4.87 120.40 135.18 1irz s VAL 8 Ca 1.17 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 62.53 1irz s VAL 8 Cb -1.35 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 30.75 1irz s VAL 8 CO 0.62 -0.68 -0.23 -0.11 0.00 0.00 0.00 175.10 174.70 1irz n LEU 9 N 5.91 1.32 -2.73 3.92 7.94 -1.26 -4.96 117.00 127.13 1irz n LEU 9 Ca -0.07 0.23 -0.05 0.00 -1.11 0.00 0.00 56.01 55.00 1irz n LEU 9 Cb 0.46 -0.54 0.04 0.00 0.53 0.00 0.00 43.42 43.90 1irz n LEU 9 CO 0.51 0.26 0.26 0.79 -1.11 0.00 0.00 177.39 178.10 1irz n TRP 10 N -3.85 -2.85 -4.18 1.96 5.03 -1.26 -5.01 117.44 107.28 1irz n TRP 10 Ca -0.32 -1.34 -0.27 0.00 3.03 0.00 0.00 57.50 58.60 1irz n TRP 10 Cb 0.69 1.42 -0.05 0.00 -1.03 0.00 0.00 31.31 32.34 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 1.82 0.52 -0.99 -4.23 -1.26 -4.93 115.64 107.29 1irz s THR 11 Ca 0.29 -1.69 0.34 0.00 -1.18 0.00 0.00 61.69 59.45 1irz s THR 11 Cb 0.13 -2.51 0.52 0.00 1.34 0.00 0.00 72.50 71.98 1irz s THR 11 CO -0.14 0.00 1.81 -0.74 -0.54 0.00 0.00 174.62 175.01 1irz h HIS 12 N 1.17 0.09 0.09 3.99 2.76 -2.01 0.16 115.15 121.40 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 1.28 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.22 1irz h HIS 12 CO 0.95 0.01 -0.05 1.49 -1.30 0.00 0.00 177.93 179.03 1irz h GLU 13 N 0.05 -0.12 0.00 5.26 4.22 -2.01 -2.72 114.58 119.26 1irz h GLU 13 Ca 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 60.00 1irz h GLU 13 Cb 2.11 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.39 1irz h GLU 13 CO -0.05 0.25 -0.03 -0.07 -2.18 0.00 0.00 179.01 176.93 1irz h LEU 14 N -0.52 0.00 -0.98 1.64 3.38 -1.12 -0.80 115.31 116.91 1irz h LEU 14 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1irz h LEU 14 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1irz h LEU 14 CO 0.02 0.03 -0.38 -0.74 0.09 0.00 0.00 178.44 177.47 1irz h HIS 15 N 0.00 0.00 -0.24 1.13 2.76 -0.86 -2.39 115.15 115.55 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 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1irz h HIS 15 CO 0.00 0.38 -0.53 -0.91 -1.30 0.00 0.00 177.93 175.57 1irz h ASN 16 N 0.00 0.76 -0.05 3.26 2.35 -0.98 0.59 115.58 121.51 1irz h ASN 16 Ca -0.00 -0.40 -0.05 0.00 -0.55 0.00 0.00 56.30 55.30 1irz h ASN 16 Cb 0.87 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1irz h ASN 16 CO 0.05 1.14 -0.18 0.11 -1.65 0.00 0.00 177.43 176.90 1irz h LYS 17 N 0.53 0.21 0.00 0.81 1.57 -1.54 -1.61 116.57 116.53 1irz h LYS 17 Ca 0.02 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1irz h LYS 17 Cb 1.09 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1irz h LYS 17 CO 0.11 0.79 -0.10 0.35 -0.57 0.00 0.00 179.45 180.03 1irz h PHE 18 N -0.34 0.00 0.22 -1.35 3.57 -1.46 -0.69 116.94 116.90 1irz h PHE 18 Ca -0.01 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.15 1irz h PHE 18 Cb 0.82 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.58 1irz h PHE 18 CO 0.13 0.10 -1.58 -0.07 -2.23 0.00 0.00 178.31 174.67 1irz h LEU 19 N 0.00 0.74 -0.11 0.59 3.38 -0.79 -2.42 115.31 116.70 1irz h LEU 19 Ca -0.00 -0.90 -0.05 0.00 0.09 0.00 0.00 57.88 57.02 1irz h LEU 19 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1irz h LEU 19 CO 0.01 1.73 -0.25 0.00 0.09 0.00 0.00 178.44 180.02 1irz h ALA 20 N 0.16 0.85 0.19 1.53 0.00 -1.15 -1.63 119.26 119.22 1irz h ALA 20 Ca -0.29 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.11 1irz h ALA 20 Cb 2.14 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.92 1irz h ALA 20 CO 0.24 0.31 -1.24 0.00 0.00 0.00 0.00 179.25 178.55 1irz h ALA 21 N 1.75 -0.11 -0.14 0.00 0.00 -1.20 -1.29 119.26 118.27 1irz h ALA 21 Ca -0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 1irz h ALA 21 Cb 1.15 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1irz h ALA 21 CO 0.03 0.60 -0.20 0.28 0.00 0.00 0.00 179.25 179.96 1irz h VAL 22 N 0.05 1.36 -0.64 0.00 2.07 -1.46 -2.83 116.25 114.80 1irz h VAL 22 Ca -0.21 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 65.90 1irz h VAL 22 Cb 1.96 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.65 1irz h VAL 22 CO 0.24 0.42 0.42 -0.78 0.02 0.00 0.00 177.57 177.88 1irz h ASP 23 N 0.00 0.73 -0.03 0.57 1.82 -1.39 0.94 116.42 119.06 1irz h ASP 23 Ca 0.02 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1irz h ASP 23 Cb 0.76 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.59 1irz h ASP 23 CO 0.05 0.53 0.05 -0.74 -1.61 0.00 0.00 179.24 177.51 1irz h HIS 24 N 0.86 0.00 -0.01 0.28 2.76 -1.16 -1.15 115.15 116.73 1irz h HIS 24 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1irz h HIS 24 Cb -0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1irz h HIS 24 CO -0.03 0.00 -0.02 1.28 -1.30 0.00 0.00 177.93 177.86 1irz n LEU 25 N -3.53 1.66 -1.26 0.26 4.77 -0.16 -5.07 117.00 113.67 1irz n LEU 25 Ca -0.02 -0.97 -0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1irz n LEU 25 Cb 0.13 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1irz n LEU 25 CO 0.24 0.33 -0.05 0.61 -1.33 0.00 0.00 177.39 177.19 1irz n GLY 26 N 0.54 -3.11 0.31 -0.72 0.00 0.31 -3.66 105.19 98.86 1irz n GLY 26 Ca 0.05 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 0.39 0.00 -0.17 1.61 3.04 -1.79 0.71 116.25 120.04 1irz h VAL 27 Ca -0.02 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.51 1irz h VAL 27 Cb 0.03 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1irz h VAL 27 CO 0.00 0.00 -0.53 -0.08 -1.01 0.00 0.00 177.57 175.96 1irz h GLU 28 N 0.00 0.65 -0.11 4.17 4.57 -1.89 -3.31 114.58 118.66 1irz h GLU 28 Ca 0.00 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1irz h GLU 28 Cb 0.74 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1irz h GLU 28 CO 0.00 1.10 0.00 0.54 -1.18 0.00 0.00 179.01 179.47 1irz n ARG 29 N -4.16 2.47 -3.21 1.92 1.74 0.12 -5.00 116.66 110.53 1irz n ARG 29 Ca -0.07 -2.13 -0.39 0.00 -0.77 0.00 0.00 57.85 54.49 1irz n ARG 29 Cb 0.61 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.84 3.47 0.28 7.54 0.00 0.22 -4.92 121.76 126.51 1irz s ALA 30 Ca 0.20 -0.00 0.10 0.00 0.00 0.00 0.00 51.96 52.26 1irz s ALA 30 Cb 0.16 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1irz s ALA 30 CO 0.05 0.11 -0.08 0.14 0.00 0.00 0.00 175.76 175.98 1irz s VAL 31 N 0.08 3.03 -0.44 0.00 -7.23 -1.26 -4.89 120.40 109.69 1irz s VAL 31 Ca 0.31 -2.11 0.26 0.00 -1.81 0.00 0.00 61.98 58.63 1irz s VAL 31 Cb -0.17 -2.63 0.32 0.00 0.56 0.00 0.00 36.38 34.45 1irz s VAL 31 CO 0.16 -0.38 1.76 1.55 -0.31 0.00 0.00 175.10 177.88 1irz h PRO 32 N 2.03 0.00 0.21 4.82 0.13 -1.91 -2.56 132.00 134.72 1irz h PRO 32 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.00 -0.10 -0.22 -0.23 0.00 0.00 178.00 178.06 1irz h LYS 33 N 0.00 -0.27 -0.39 0.86 3.11 -1.95 -0.87 116.57 117.06 1irz h LYS 33 Ca 0.00 0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.72 1irz h LYS 33 Cb 0.70 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1irz h LYS 33 CO 0.00 0.12 -0.29 0.87 -2.81 0.00 0.00 179.45 177.34 1irz h LYS 34 N -0.85 0.84 0.00 1.90 1.79 -1.99 -2.13 116.57 116.12 1irz h LYS 34 Ca -0.03 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.04 1irz h LYS 34 Cb 0.51 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1irz h LYS 34 CO 0.05 1.02 -0.09 0.82 -1.08 0.00 0.00 179.45 180.17 1irz h ILE 35 N 0.71 0.60 -0.94 1.86 2.04 -1.51 -1.02 117.51 119.26 1irz h ILE 35 Ca 0.08 -0.39 0.20 0.00 1.00 0.00 0.00 64.86 65.75 1irz h ILE 35 Cb 0.84 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 1irz h ILE 35 CO 0.07 0.09 0.61 0.25 0.00 0.00 0.00 178.15 179.17 1irz h LEU 36 N 0.00 0.50 -0.41 1.44 5.85 -0.43 0.77 115.31 123.03 1irz h LEU 36 Ca -0.00 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 1irz h LEU 36 Cb 0.24 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1irz h LEU 36 CO 0.01 0.19 -0.72 0.44 -0.34 0.00 0.00 178.44 178.03 1irz h ASP 37 N 0.50 0.49 -0.67 1.25 3.32 -1.29 -2.16 116.42 117.86 1irz h ASP 37 Ca 0.50 -0.32 0.05 0.00 0.02 0.00 0.00 57.03 57.29 1irz h ASP 37 Cb 1.12 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 1irz h ASP 37 CO -0.23 1.06 0.44 -0.07 -1.72 0.00 0.00 179.24 178.72 1irz h LEU 38 N 0.28 0.62 0.01 1.55 3.38 0.54 -2.84 115.31 118.85 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 1.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1irz h LEU 38 CO 0.12 0.41 -0.00 0.24 0.09 0.00 0.00 178.44 179.30 1irz h MET 39 N 0.71 -0.01 -2.31 1.13 2.86 -1.06 -3.47 114.93 112.78 1irz h MET 39 Ca 0.28 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.54 1irz h MET 39 Cb 0.21 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.79 1irz h MET 39 CO -0.09 0.82 -0.43 -1.71 1.06 0.00 0.00 176.91 176.57 1irz n ASN 40 N -4.66 -5.24 -4.81 1.22 4.05 -0.83 -4.94 115.26 100.06 1irz n ASN 40 Ca -0.09 0.22 -0.35 0.00 0.45 0.00 0.00 54.58 54.81 1irz n ASN 40 Cb 0.40 -4.50 -0.06 0.00 1.23 0.00 0.00 39.78 36.85 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 -2.79 4.41 0.35 3.44 1.01 -1.26 -5.04 120.40 120.51 1irz s VAL 41 Ca 0.00 1.48 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 1irz s VAL 41 Cb 0.00 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 1irz s VAL 41 CO 0.00 0.00 0.93 1.51 0.00 0.00 0.00 175.10 177.55 1irz s ASP 42 N -1.85 7.22 0.00 3.32 1.47 -1.26 -3.25 116.67 122.31 1irz s ASP 42 Ca 0.52 1.77 0.00 0.00 1.18 0.00 0.00 52.55 56.02 1irz s ASP 42 Cb -0.15 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 1irz s ASP 42 CO 0.20 -0.14 0.00 1.17 0.68 0.00 0.00 175.17 177.07 1irz n LYS 43 N 0.24 -0.03 -4.07 2.11 4.81 -1.26 -4.99 118.16 114.98 1irz n LYS 43 Ca 0.03 0.01 -0.36 0.00 -0.87 0.00 0.00 58.31 57.12 1irz n LYS 43 Cb 0.51 -2.88 -0.08 0.00 0.02 0.00 0.00 35.03 32.60 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 3.99 0.46 3.14 2.01 -1.20 -5.10 118.68 121.97 1irz s LEU 44 Ca 0.00 0.27 0.05 0.00 0.01 0.00 0.00 54.13 54.46 1irz s LEU 44 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 44.19 1irz s LEU 44 CO 0.00 0.34 0.06 0.42 1.01 0.00 0.00 176.35 178.18 1irz s THR 45 N -0.64 1.69 -0.34 5.49 -4.23 -1.26 -4.90 115.64 111.46 1irz s THR 45 Ca 0.12 -1.92 0.25 0.00 -1.18 0.00 0.00 61.69 58.96 1irz s THR 45 Cb -0.12 -2.62 0.35 0.00 1.34 0.00 0.00 72.50 71.45 1irz s THR 45 CO 0.02 0.00 1.70 0.08 -0.54 0.00 0.00 174.62 175.88 1irz h ARG 46 N 1.49 0.00 -0.03 3.99 0.11 -1.94 -3.20 114.38 114.81 1irz h ARG 46 Ca -0.43 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.47 1irz h ARG 46 Cb 1.28 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.37 1irz h ARG 46 CO 0.75 0.00 -0.66 0.93 0.10 0.00 0.00 179.97 181.09 1irz h GLU 47 N 0.00 0.50 -0.58 0.08 5.08 -1.95 0.56 114.58 118.26 1irz h GLU 47 Ca 0.00 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1irz h GLU 47 Cb 0.88 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1irz h GLU 47 CO 0.00 1.13 0.29 -0.91 -1.00 0.00 0.00 179.01 178.52 1irz h ASN 48 N 0.06 0.73 1.23 1.42 4.21 -1.97 -0.54 115.58 120.72 1irz h ASN 48 Ca -0.07 -0.07 -0.12 0.00 1.21 0.00 0.00 56.30 57.25 1irz h ASN 48 Cb 1.34 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 38.34 1irz h ASN 48 CO 0.13 0.62 -0.80 0.58 -1.29 0.00 0.00 177.43 176.67 1irz h VAL 49 N 0.82 0.75 0.00 2.81 2.07 -1.55 -3.22 116.25 117.92 1irz h VAL 49 Ca 0.20 -2.15 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 1irz h VAL 49 Cb 0.07 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1irz h VAL 49 CO -0.03 0.43 -0.06 0.00 0.02 0.00 0.00 177.57 177.93 1irz h ALA 50 N 1.48 0.98 0.06 1.67 0.00 -0.06 -3.05 119.26 120.32 1irz h ALA 50 Ca -0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1irz h ALA 50 Cb 1.44 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.24 1irz h ALA 50 CO 0.06 0.07 -0.54 0.77 0.00 0.00 0.00 179.25 179.61 1irz h SER 51 N 0.00 0.38 0.17 0.00 0.02 -1.14 -2.99 113.55 109.99 1irz h SER 51 Ca -0.00 -0.87 -0.02 0.00 -0.84 0.00 0.00 61.79 60.07 1irz h SER 51 Cb 0.85 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1irz h SER 51 CO 0.01 1.21 -0.08 -0.74 -1.14 0.00 0.00 176.83 176.09 1irz h HIS 52 N -0.40 0.00 0.00 3.45 6.17 -1.59 -1.17 115.15 121.61 1irz h HIS 52 Ca -0.08 0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.84 1irz h HIS 52 Cb 1.34 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.25 1irz h HIS 52 CO 0.19 0.08 -0.75 1.25 0.71 0.00 0.00 177.93 179.41 1irz h LEU 53 N 0.00 0.00 -0.32 0.26 5.85 -1.54 -2.59 115.31 116.97 1irz h LEU 53 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1irz h LEU 53 Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1irz h LEU 53 CO 0.01 0.75 -0.56 1.56 -0.34 0.00 0.00 178.44 179.86 1irz h GLN 54 N 0.00 0.00 0.19 1.25 4.20 -1.08 -2.90 115.11 116.77 1irz h GLN 54 Ca -0.01 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.39 1irz h GLN 54 Cb 1.39 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.19 1irz h GLN 54 CO 0.10 0.56 -1.36 0.87 -0.67 0.00 0.00 178.83 178.32 1irz h LYS 55 N 0.00 0.49 -0.43 1.46 1.79 -1.37 -3.05 116.57 115.46 1irz h LYS 55 Ca -0.01 -0.78 -0.05 0.00 -2.18 0.00 0.00 60.65 57.64 1irz h LYS 55 Cb 1.29 0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 32.21 1irz h LYS 55 CO 0.07 1.36 0.09 0.35 -1.08 0.00 0.00 179.45 180.25 1irz h PHE 56 N 0.16 0.74 -0.93 -1.35 3.57 -1.49 -0.72 116.94 116.91 1irz h PHE 56 Ca -0.21 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.25 1irz h PHE 56 Cb 2.06 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 40.53 1irz h PHE 56 CO 0.11 0.70 0.60 -0.09 -2.23 0.00 0.00 178.31 177.39 1irz h ARG 57 N 0.57 1.10 -0.05 1.11 2.43 -1.60 0.71 114.38 118.64 1irz h ARG 57 Ca 0.13 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1irz h ARG 57 Cb 0.34 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1irz h ARG 57 CO 0.00 0.73 -0.24 0.28 -1.51 0.00 0.00 179.97 179.23 1irz h VAL 58 N 1.13 1.20 0.00 0.20 2.07 -1.33 -0.38 116.25 119.14 1irz h VAL 58 Ca 0.38 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1irz h VAL 58 Cb 0.07 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1irz h VAL 58 CO -0.14 0.27 -0.24 0.00 0.02 0.00 0.00 177.57 177.49 1irz n ALA 59 N -2.49 2.74 1.11 1.67 0.00 0.65 -3.28 120.51 120.91 1irz n ALA 59 Ca -0.02 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1irz n ALA 59 Cb 0.32 -1.33 0.35 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.75 1.90 -0.02 0.00 4.77 0.21 -3.77 117.00 118.35 1irz n LEU 60 Ca 0.06 -0.80 0.05 0.00 -0.03 0.00 0.00 56.01 55.29 1irz n LEU 60 Cb 0.37 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1irz n LEU 60 CO 0.31 0.40 -0.74 2.29 -1.33 0.00 0.00 177.39 178.33 1irz n LYS 61 N 0.48 0.66 -3.06 3.23 2.85 -1.14 -4.68 118.16 116.50 1irz n LYS 61 Ca 0.16 -0.08 -0.19 0.00 -1.05 0.00 0.00 58.31 57.15 1irz n LYS 61 Cb 0.36 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.14 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 -2.48 0.76 -3.28 -1.58 3.00 -1.25 -5.12 118.16 108.21 1irz n LYS 62 Ca -0.11 -2.79 -0.32 0.00 -0.00 0.00 0.00 58.31 55.09 1irz n LYS 62 Cb 0.73 -1.31 -0.06 0.00 0.00 0.00 0.00 35.03 34.39 1irz n LYS 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1irz s VAL 63 N -0.73 4.81 0.00 3.15 -7.23 -1.25 -5.01 120.40 114.14 1irz s VAL 63 Ca 0.34 0.70 0.00 0.00 -1.81 0.00 0.00 61.98 61.21 1irz s VAL 63 Cb 0.20 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1irz s VAL 63 CO -0.14 -0.12 0.00 -0.24 -0.31 0.00 0.00 175.10 174.28