#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 -1.77 -0.14 6.98 0.00 -1.26 -5.07 121.76 120.50 1irz s ALA 2 Ca 0.00 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 1irz s ALA 2 Cb 0.00 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1irz s ALA 2 CO 0.00 -0.41 0.19 1.04 0.00 0.00 0.00 175.76 176.58 1irz n GLN 3 N 0.75 -4.65 -0.26 0.00 3.00 -1.26 -5.00 117.38 109.97 1irz n GLN 3 Ca -0.18 3.48 -0.05 0.00 -0.01 0.00 0.00 57.00 60.24 1irz n GLN 3 Cb 0.58 -4.90 0.04 0.00 0.00 0.00 0.00 30.24 25.95 1irz n GLN 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1irz n LYS 4 N 1.70 -0.77 -2.01 -1.09 2.85 -1.26 -4.94 118.16 112.64 1irz n LYS 4 Ca -0.33 -0.33 -0.41 0.00 -1.05 0.00 0.00 58.31 56.19 1irz n LYS 4 Cb 0.51 -0.26 -0.02 0.00 -0.65 0.00 0.00 35.03 34.61 1irz n LYS 4 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1irz s LYS 5 N -3.47 4.26 0.12 -1.58 -2.85 -1.26 -4.96 119.74 110.00 1irz s LYS 5 Ca 0.13 2.30 -0.30 0.00 -1.00 0.00 0.00 55.97 57.10 1irz s LYS 5 Cb -0.01 -3.12 -0.06 0.00 -2.06 0.00 0.00 37.83 32.58 1irz s LYS 5 CO 0.09 -0.44 0.99 -1.25 0.10 0.00 0.00 175.35 174.84 1irz s PRO 6 N -0.18 4.67 0.00 1.78 0.04 -1.26 -4.54 135.00 135.51 1irz s PRO 6 Ca 0.61 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1irz s PRO 6 Cb -0.42 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1irz s PRO 6 CO 0.42 0.18 0.00 2.89 0.04 0.00 0.00 177.00 180.52 1irz n ARG 7 N 2.74 -0.72 -2.38 4.56 1.85 -1.26 -4.66 116.66 116.79 1irz n ARG 7 Ca 0.03 0.91 -0.36 0.00 -1.00 0.00 0.00 57.85 57.43 1irz n ARG 7 Cb 0.49 -0.80 -0.04 0.00 -1.05 0.00 0.00 32.46 31.06 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 -0.43 3.76 -0.22 8.89 1.01 -1.26 -4.65 120.40 127.51 1irz s VAL 8 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1irz s VAL 8 Cb 0.00 -4.70 -0.17 0.00 0.00 0.00 0.00 36.38 31.51 1irz s VAL 8 CO 0.00 -1.58 -0.14 -0.11 0.00 0.00 0.00 175.10 173.27 1irz n LEU 9 N 10.73 2.26 -2.69 3.92 7.94 -1.26 -4.91 117.00 132.99 1irz n LEU 9 Ca 0.37 -0.09 -0.05 0.00 -1.11 0.00 0.00 56.01 55.13 1irz n LEU 9 Cb 0.49 -0.51 0.05 0.00 0.53 0.00 0.00 43.42 43.99 1irz n LEU 9 CO 0.65 0.78 0.45 0.79 -1.11 0.00 0.00 177.39 178.95 1irz n TRP 10 N -3.05 -1.39 -4.16 1.96 5.03 -1.26 -5.02 117.44 109.54 1irz n TRP 10 Ca -0.38 -0.93 -0.27 0.00 3.03 0.00 0.00 57.50 58.95 1irz n TRP 10 Cb 0.97 1.21 -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 0.54 1.81 0.61 -0.99 -4.23 -1.26 -4.93 115.64 107.18 1irz s THR 11 Ca 0.27 -1.67 0.28 0.00 -1.18 0.00 0.00 61.69 59.38 1irz s THR 11 Cb 0.17 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.89 1irz s THR 11 CO -0.11 0.00 1.76 -0.74 -0.54 0.00 0.00 174.62 174.98 1irz h HIS 12 N 1.13 0.00 0.13 3.99 2.76 -2.02 0.42 115.15 121.57 1irz h HIS 12 Ca -0.41 0.00 -0.01 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 0.96 0.00 -0.06 1.49 -1.30 0.00 0.00 177.93 179.02 1irz h GLU 13 N 0.00 -0.17 0.00 5.26 4.57 -2.01 -3.04 114.58 119.19 1irz h GLU 13 Ca 0.23 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1irz h GLU 13 Cb 1.47 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.10 1irz h GLU 13 CO -0.00 0.28 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.03 1irz h LEU 14 N -0.89 0.00 -0.43 1.64 3.38 -1.34 -0.49 115.31 117.18 1irz h LEU 14 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1irz h LEU 14 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1irz h LEU 14 CO 0.03 0.00 -0.69 -0.74 0.09 0.00 0.00 178.44 177.13 1irz h HIS 15 N 0.00 0.00 -0.30 1.13 2.76 -1.11 -2.50 115.15 115.13 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 0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1irz h HIS 15 CO 0.00 0.69 -0.25 -0.91 -1.30 0.00 0.00 177.93 176.16 1irz h ASN 16 N 0.00 0.74 -0.04 3.26 2.35 -0.96 0.06 115.58 120.98 1irz h ASN 16 Ca -0.01 -0.45 -0.19 0.00 -0.55 0.00 0.00 56.30 55.10 1irz h ASN 16 Cb 1.33 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 1irz h ASN 16 CO 0.09 1.04 -0.64 0.11 -1.65 0.00 0.00 177.43 176.38 1irz h LYS 17 N 0.45 0.66 0.00 0.81 1.57 -1.57 -2.02 116.57 116.47 1irz h LYS 17 Ca 0.05 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 1irz h LYS 17 Cb 0.81 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1irz h LYS 17 CO 0.06 1.09 -0.17 0.35 -0.57 0.00 0.00 179.45 180.22 1irz h PHE 18 N 0.48 0.00 0.20 -1.35 3.57 -1.41 -1.63 116.94 116.81 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 1.23 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.99 1irz h PHE 18 CO 0.06 0.17 -1.61 -0.07 -2.23 0.00 0.00 178.31 174.63 1irz h LEU 19 N 0.00 0.66 -0.35 0.59 3.38 -0.81 -2.82 115.31 115.96 1irz h LEU 19 Ca -0.00 -0.85 -0.07 0.00 0.09 0.00 0.00 57.88 57.05 1irz h LEU 19 Cb 0.81 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1irz h LEU 19 CO 0.02 1.69 -0.33 0.00 0.09 0.00 0.00 178.44 179.92 1irz h ALA 20 N 0.21 0.84 0.06 1.53 0.00 -1.35 -1.78 119.26 118.76 1irz h ALA 20 Ca -0.29 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.04 1irz h ALA 20 Cb 2.11 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.87 1irz h ALA 20 CO 0.21 0.41 -1.14 0.00 0.00 0.00 0.00 179.25 178.74 1irz h ALA 21 N 1.67 0.08 -0.08 0.00 0.00 -1.38 -1.08 119.26 118.49 1irz h ALA 21 Ca -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 1irz h ALA 21 Cb 1.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1irz h ALA 21 CO 0.04 0.70 -0.15 0.28 0.00 0.00 0.00 179.25 180.13 1irz h VAL 22 N 0.33 1.41 -0.94 0.00 2.07 -1.48 -3.07 116.25 114.55 1irz h VAL 22 Ca -0.15 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 65.95 1irz h VAL 22 Cb 1.80 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.68 1irz h VAL 22 CO 0.22 0.41 0.62 -0.78 0.02 0.00 0.00 177.57 178.05 1irz h ASP 23 N -0.24 1.05 -0.26 0.57 3.58 -1.40 0.42 116.42 120.15 1irz h ASP 23 Ca 0.00 -0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.51 1irz h ASP 23 Cb 0.73 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1irz h ASP 23 CO 0.03 0.74 0.22 -0.74 -2.88 0.00 0.00 179.24 176.61 1irz h HIS 24 N 1.23 0.00 -0.00 0.28 2.76 -1.13 -0.13 115.15 118.16 1irz h HIS 24 Ca 0.36 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1irz h HIS 24 Cb -0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1irz h HIS 24 CO -0.01 0.00 -0.58 1.28 -1.30 0.00 0.00 177.93 177.33 1irz n LEU 25 N -4.11 1.13 -0.56 0.26 4.77 -0.16 -5.06 117.00 113.27 1irz n LEU 25 Ca 0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1irz n LEU 25 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1irz n LEU 25 CO 0.31 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1irz n GLY 26 N 1.29 -1.31 0.39 -0.72 0.00 0.13 -4.11 105.19 100.86 1irz n GLY 26 Ca 0.05 -0.77 0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 0.13 -0.19 1.61 3.04 -1.81 0.80 116.25 119.83 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 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 29.70 1irz h VAL 27 CO 0.00 0.00 -0.10 -0.08 -1.01 0.00 0.00 177.57 176.38 1irz h GLU 28 N 0.00 0.41 -0.29 4.17 4.81 -1.90 -3.26 114.58 118.53 1irz h GLU 28 Ca 0.17 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1irz h GLU 28 Cb 1.47 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1irz h GLU 28 CO -0.00 0.71 0.00 0.54 -0.73 0.00 0.00 179.01 179.53 1irz n ARG 29 N -4.56 2.87 -2.48 1.92 1.74 0.74 -4.97 116.66 111.91 1irz n ARG 29 Ca -0.05 -2.38 -0.43 0.00 -0.77 0.00 0.00 57.85 54.22 1irz n ARG 29 Cb 0.33 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.83 3.51 0.27 7.54 0.00 0.24 -4.89 121.76 126.60 1irz s ALA 30 Ca 0.31 0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.54 1irz s ALA 30 Cb 0.21 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1irz s ALA 30 CO 0.12 -1.47 0.09 0.14 0.00 0.00 0.00 175.76 174.63 1irz s VAL 31 N 3.88 3.70 0.09 0.00 -7.23 -1.26 -4.94 120.40 114.63 1irz s VAL 31 Ca 0.53 -1.71 0.15 0.00 -1.81 0.00 0.00 61.98 59.14 1irz s VAL 31 Cb -0.17 -3.04 0.05 0.00 0.56 0.00 0.00 36.38 33.77 1irz s VAL 31 CO 0.18 -0.34 1.58 1.55 -0.31 0.00 0.00 175.10 177.76 1irz h PRO 32 N 1.70 0.00 0.06 4.82 0.13 -1.95 -1.79 132.00 134.97 1irz h PRO 32 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1irz h PRO 32 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1irz h PRO 32 CO 0.61 0.53 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.66 1irz h LYS 33 N 0.00 -0.07 -0.31 0.86 3.11 -1.95 0.68 116.57 118.89 1irz h LYS 33 Ca -0.01 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 1irz h LYS 33 Cb 1.18 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 1irz h LYS 33 CO 0.07 0.34 -0.25 0.87 -2.81 0.00 0.00 179.45 177.66 1irz h LYS 34 N -0.50 0.72 0.00 1.90 1.79 -1.98 -2.48 116.57 116.01 1irz h LYS 34 Ca -0.01 -0.36 -0.02 0.00 -2.18 0.00 0.00 60.65 58.09 1irz h LYS 34 Cb 0.44 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1irz h LYS 34 CO 0.01 0.97 -0.09 0.82 -1.08 0.00 0.00 179.45 180.09 1irz h ILE 35 N 0.47 0.59 -0.92 1.86 2.04 -1.34 -1.03 117.51 119.18 1irz h ILE 35 Ca 0.06 -0.38 0.18 0.00 1.00 0.00 0.00 64.86 65.72 1irz h ILE 35 Cb 0.82 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 1irz h ILE 35 CO 0.07 0.09 0.60 0.25 0.00 0.00 0.00 178.15 179.15 1irz h LEU 36 N 0.00 0.57 -0.41 1.44 5.85 -0.37 0.68 115.31 123.08 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 0.23 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1irz h LEU 36 CO 0.01 0.24 -0.77 0.44 -0.34 0.00 0.00 178.44 178.02 1irz h ASP 37 N 0.58 0.29 -0.51 1.25 5.19 -1.27 -2.45 116.42 119.50 1irz h ASP 37 Ca 0.49 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1irz h ASP 37 Cb 0.97 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 1irz h ASP 37 CO -0.23 0.96 0.33 -0.07 -3.12 0.00 0.00 179.24 177.10 1irz h LEU 38 N 0.15 0.60 0.04 1.55 3.38 0.40 -2.88 115.31 118.55 1irz h LEU 38 Ca -0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1irz h LEU 38 Cb 1.36 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1irz h LEU 38 CO 0.12 0.44 -0.26 0.24 0.09 0.00 0.00 178.44 179.07 1irz h MET 39 N 0.70 0.11 -2.16 1.13 2.86 -1.08 -3.47 114.93 113.03 1irz h MET 39 Ca 0.19 -0.17 -0.28 0.00 -2.06 0.00 0.00 59.70 57.37 1irz h MET 39 Cb -0.06 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.59 1irz h MET 39 CO -0.04 1.04 -0.30 -1.71 1.06 0.00 0.00 176.91 176.97 1irz n ASN 40 N -4.47 -3.91 -4.90 1.22 5.15 -0.93 -4.92 115.26 102.50 1irz n ASN 40 Ca -0.11 0.28 -0.28 0.00 -0.60 0.00 0.00 54.58 53.87 1irz n ASN 40 Cb 0.57 -3.50 -0.01 0.00 -0.53 0.00 0.00 39.78 36.31 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 -2.37 4.88 0.26 3.44 1.01 -1.26 -5.06 120.40 121.29 1irz s VAL 41 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 1irz s VAL 41 Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1irz s VAL 41 CO 0.00 -0.79 0.65 1.51 0.00 0.00 0.00 175.10 176.47 1irz s ASP 42 N -3.89 6.76 0.00 3.32 1.47 -1.26 -3.71 116.67 119.36 1irz s ASP 42 Ca 0.48 1.15 0.00 0.00 1.18 0.00 0.00 52.55 55.36 1irz s ASP 42 Cb -0.10 -2.32 0.00 0.00 -0.34 0.00 0.00 42.92 40.16 1irz s ASP 42 CO 0.42 -0.10 0.00 1.17 0.68 0.00 0.00 175.17 177.35 1irz n LYS 43 N -0.03 0.00 -3.37 2.11 4.81 -1.26 -4.95 118.16 115.47 1irz n LYS 43 Ca 0.01 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.00 1irz n LYS 43 Cb 0.52 -2.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.00 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 6.30 0.73 3.14 1.43 -1.24 -4.99 118.68 124.04 1irz s LEU 44 Ca 0.00 -2.22 -0.02 0.00 -1.03 0.00 0.00 54.13 50.86 1irz s LEU 44 Cb 0.00 -2.16 0.12 0.00 0.03 0.00 0.00 46.19 44.18 1irz s LEU 44 CO 0.00 -0.70 1.00 0.42 0.23 0.00 0.00 176.35 177.30 1irz s THR 45 N 0.91 2.17 -0.14 5.49 -4.23 -1.26 -4.85 115.64 113.73 1irz s THR 45 Ca 0.10 -0.54 0.30 0.00 -1.18 0.00 0.00 61.69 60.36 1irz s THR 45 Cb -0.21 -2.62 0.36 0.00 1.34 0.00 0.00 72.50 71.36 1irz s THR 45 CO -0.02 0.00 1.86 0.03 -0.54 0.00 0.00 174.62 175.94 1irz h ARG 46 N -0.57 0.00 0.09 3.99 3.08 -1.97 -2.84 114.38 116.16 1irz h ARG 46 Ca -0.38 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.42 1irz h ARG 46 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1irz h ARG 46 CO 0.42 0.00 -1.16 1.49 -1.07 0.00 0.00 179.97 179.65 1irz h GLU 47 N 0.00 0.24 -0.13 0.04 4.81 -1.97 0.23 114.58 117.81 1irz h GLU 47 Ca 0.00 -0.39 -0.21 0.00 -0.13 0.00 0.00 59.36 58.63 1irz h GLU 47 Cb 0.60 0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1irz h GLU 47 CO 0.00 1.16 -0.77 -0.91 -0.73 0.00 0.00 179.01 177.76 1irz h ASN 48 N 0.08 0.81 1.20 1.04 2.35 -1.90 -2.86 115.58 116.31 1irz h ASN 48 Ca -0.11 -0.54 -0.14 0.00 -0.55 0.00 0.00 56.30 54.97 1irz h ASN 48 Cb 1.88 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.98 1irz h ASN 48 CO 0.19 1.32 -0.83 0.58 -1.65 0.00 0.00 177.43 177.03 1irz h VAL 49 N 0.46 0.86 0.00 2.81 2.07 -1.58 -3.21 116.25 117.67 1irz h VAL 49 Ca -0.05 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 1irz h VAL 49 Cb 1.39 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1irz h VAL 49 CO 0.15 0.49 -0.10 0.00 0.02 0.00 0.00 177.57 178.13 1irz h ALA 50 N 1.41 1.04 -0.01 1.67 0.00 -0.92 -2.99 119.26 119.47 1irz h ALA 50 Ca -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1irz h ALA 50 Cb 1.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1irz h ALA 50 CO 0.07 0.13 -0.06 0.77 0.00 0.00 0.00 179.25 180.16 1irz h SER 51 N 0.00 0.06 -0.41 0.00 0.02 -1.50 -2.67 113.55 109.05 1irz h SER 51 Ca -0.00 -0.72 0.12 0.00 -0.84 0.00 0.00 61.79 60.34 1irz h SER 51 Cb 0.57 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1irz h SER 51 CO 0.01 0.78 0.32 -0.74 -1.14 0.00 0.00 176.83 176.06 1irz h HIS 52 N -0.65 0.00 -0.02 3.45 6.17 -1.62 0.17 115.15 122.66 1irz h HIS 52 Ca -0.01 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.88 1irz h HIS 52 Cb 0.78 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.70 1irz h HIS 52 CO 0.18 0.00 -0.84 1.25 0.71 0.00 0.00 177.93 179.23 1irz h LEU 53 N 0.00 0.35 -1.43 0.26 5.85 -1.45 -3.06 115.31 115.84 1irz h LEU 53 Ca 0.19 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1irz h LEU 53 Cb 0.83 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1irz h LEU 53 CO -0.00 1.04 -0.25 1.56 -0.34 0.00 0.00 178.44 180.45 1irz h GLN 54 N 0.17 0.06 0.00 1.25 4.20 -0.32 -1.51 115.11 118.96 1irz h GLN 54 Ca -0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1irz h GLN 54 Cb 1.44 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.22 1irz h GLN 54 CO 0.13 0.31 -0.05 0.87 -0.67 0.00 0.00 178.83 179.42 1irz h LYS 55 N 0.06 0.00 -0.35 1.46 1.57 -1.36 -3.07 116.57 114.88 1irz h LYS 55 Ca 0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1irz h LYS 55 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1irz h LYS 55 CO 0.03 0.05 -0.21 0.35 -0.57 0.00 0.00 179.45 179.10 1irz h PHE 56 N 0.00 0.89 -0.71 -1.35 3.57 -1.27 -0.33 116.94 117.75 1irz h PHE 56 Ca -0.00 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 1irz h PHE 56 Cb 0.67 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1irz h PHE 56 CO 0.00 0.97 0.43 0.00 -2.23 0.00 0.00 178.31 177.49 1irz h ARG 57 N 0.55 0.96 -0.12 1.11 3.08 -1.56 0.94 114.38 119.34 1irz h ARG 57 Ca 0.07 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1irz h ARG 57 Cb 0.76 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1irz h ARG 57 CO 0.06 0.68 -0.21 0.28 -1.07 0.00 0.00 179.97 179.71 1irz h VAL 58 N 0.97 1.21 0.00 2.04 2.07 -1.53 -0.36 116.25 120.65 1irz h VAL 58 Ca 0.25 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1irz h VAL 58 Cb -0.04 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1irz h VAL 58 CO -0.05 0.29 -0.19 0.00 0.02 0.00 0.00 177.57 177.64 1irz n ALA 59 N -2.49 2.71 1.62 1.67 0.00 -0.15 -3.31 120.51 120.56 1irz n ALA 59 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.31 1irz n ALA 59 Cb 0.32 -1.35 0.34 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.64 0.00 -2.04 0.00 4.77 0.31 -4.85 117.00 113.55 1irz n LEU 60 Ca 0.06 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 1irz n LEU 60 Cb 0.36 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1irz n LEU 60 CO 0.30 0.00 0.02 1.17 -1.33 0.00 0.00 177.39 177.55 1irz n LYS 61 N -0.72 -1.32 -3.37 3.23 4.81 -1.21 -4.12 118.16 115.45 1irz n LYS 61 Ca 0.09 0.31 -0.21 0.00 -0.87 0.00 0.00 58.31 57.63 1irz n LYS 61 Cb 0.04 -3.27 0.01 0.00 0.02 0.00 0.00 35.03 31.82 1irz n LYS 61 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1irz n LYS 62 N -2.12 -1.22 -4.36 1.64 4.81 -1.25 -4.95 118.16 110.70 1irz n LYS 62 Ca -0.05 0.66 -0.19 0.00 -0.87 0.00 0.00 58.31 57.86 1irz n LYS 62 Cb 0.55 -1.63 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 1irz n LYS 62 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1irz s VAL 63 N -2.42 1.73 -2.95 3.15 1.01 -1.26 -5.15 120.40 114.51 1irz s VAL 63 Ca 0.06 -2.20 0.24 0.00 0.00 0.00 0.00 61.98 60.08 1irz s VAL 63 Cb -0.01 -2.11 0.23 0.00 0.00 0.00 0.00 36.38 34.49 1irz s VAL 63 CO 0.68 -0.55 1.31 -0.24 0.00 0.00 0.00 175.10 176.30