#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irh h PHE 2 N 0.00 0.38 -2.62 -0.32 3.57 -1.95 -3.49 116.94 112.50 1irh h PHE 2 Ca 0.00 -0.27 0.30 0.00 3.53 0.00 0.00 57.97 61.53 1irh h PHE 2 Cb 0.00 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 1irh h PHE 2 CO 0.00 1.35 -0.51 0.72 -2.23 0.00 0.00 178.31 177.64 1irh n HIS 3 N -3.40 -2.85 0.00 0.41 8.25 -1.26 -4.95 115.22 111.41 1irh n HIS 3 Ca -0.17 1.44 0.00 0.00 -0.26 0.00 0.00 57.72 58.74 1irh n HIS 3 Cb 1.04 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 29.56 1irh n HIS 3 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1irh n GLY 4 N -3.53 -1.88 0.00 -1.41 0.00 -1.26 -5.13 105.19 91.97 1irh n GLY 4 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1irh n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1irh n PRO 5 N 0.00 1.54 -0.62 1.61 -0.05 -1.26 -4.95 135.00 131.27 1irh n PRO 5 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.51 1irh n PRO 5 Cb 0.00 0.00 0.20 0.00 -0.05 0.00 0.00 33.50 33.65 1irh n PRO 5 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1irh n SER 6 N 0.00 1.70 -0.29 3.54 7.64 -1.26 -4.67 113.62 120.29 1irh n SER 6 Ca 0.00 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.10 1irh n SER 6 Cb 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1irh n SER 6 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1irh n TRP 7 N -1.06 0.00 -0.04 1.43 4.27 -1.26 -4.85 117.44 115.94 1irh n TRP 7 Ca 0.18 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.72 1irh n TRP 7 Cb 0.71 0.09 -0.03 0.00 -1.36 0.00 0.00 31.31 30.72 1irh n TRP 7 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1irh n LEU 9 N -3.12 0.60 -4.61 0.00 4.77 -1.26 -4.73 117.00 108.65 1irh n LEU 9 Ca -0.15 0.61 -0.38 0.00 -0.03 0.00 0.00 56.01 56.06 1irh n LEU 9 Cb 0.62 -0.48 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1irh n LEU 9 CO 0.03 -0.36 0.54 1.07 -1.33 0.00 0.00 177.39 177.34 1irh n THR 10 N -2.12 3.67 -0.58 -5.08 5.66 -1.26 -4.93 114.28 109.64 1irh n THR 10 Ca 0.04 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.25 1irh n THR 10 Cb 0.30 -1.14 0.26 0.00 -1.55 0.00 0.00 70.33 68.19 1irh n THR 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1irh s PRO 11 N -2.74 -1.59 -0.40 1.09 0.05 -1.26 -4.94 135.00 125.21 1irh s PRO 11 Ca 0.76 0.48 -0.22 0.00 0.05 0.00 0.00 61.00 62.07 1irh s PRO 11 Cb -0.42 -1.50 0.01 0.00 0.05 0.00 0.00 34.50 32.64 1irh s PRO 11 CO 0.47 -4.08 0.75 0.00 0.05 0.00 0.00 177.00 174.19 1irh s ALA 12 N -2.48 3.38 -0.34 8.56 0.00 -1.26 -5.00 121.76 124.61 1irh s ALA 12 Ca 0.68 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1irh s ALA 12 Cb -0.19 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1irh s ALA 12 CO 0.61 -1.64 1.63 0.34 0.00 0.00 0.00 175.76 176.70 1irh s ASP 13 N 1.95 6.13 -0.34 0.00 -1.08 -1.26 -4.86 116.67 117.21 1irh s ASP 13 Ca 0.29 1.17 0.14 0.00 -0.52 0.00 0.00 52.55 53.63 1irh s ASP 13 Cb -0.13 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.26 1irh s ASP 13 CO 0.19 -1.54 1.05 -2.11 0.52 0.00 0.00 175.17 173.28 1irh n ARG 14 N 8.19 2.14 0.00 4.34 1.85 -1.26 -3.03 116.66 128.89 1irh n ARG 14 Ca 0.20 -3.74 0.00 0.00 -1.00 0.00 0.00 57.85 53.31 1irh n ARG 14 Cb 0.47 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1irh n ARG 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1irh n GLY 15 N -0.35 3.25 5.15 2.89 0.00 -1.26 -4.61 105.19 110.26 1irh n GLY 15 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1irh n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1irh n LEU 16 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.43 117.00 117.07 1irh n LEU 16 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1irh n LEU 16 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1irh n LEU 16 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1irh n ARG 18 N -0.01 1.33 -1.52 0.00 1.74 -1.26 -4.39 116.66 112.54 1irh n ARG 18 Ca 0.00 0.19 -0.33 0.00 -0.77 0.00 0.00 57.85 56.95 1irh n ARG 18 Cb 0.00 -3.27 -0.05 0.00 -1.02 0.00 0.00 32.46 28.12 1irh n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1irh n ALA 19 N 14.04 6.92 -0.23 7.54 0.00 -1.26 -3.15 120.51 144.36 1irh n ALA 19 Ca 0.36 -3.35 -0.04 0.00 0.00 0.00 0.00 53.44 50.41 1irh n ALA 19 Cb 0.48 -2.78 0.18 0.00 0.00 0.00 0.00 19.45 17.34 1irh n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1irh n ASN 20 N 2.29 3.68 -1.98 0.00 5.15 -1.22 -4.11 115.26 119.07 1irh n ASN 20 Ca 0.62 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 51.85 1irh n ASN 20 Cb 0.41 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 1irh n ASN 20 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1irh n GLU 21 N -0.02 1.48 -2.82 1.20 1.02 -1.06 -4.92 120.64 115.53 1irh n GLU 21 Ca 0.26 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.29 1irh n GLU 21 Cb 1.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.45 1irh n GLU 21 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1irh n ASN 22 N -0.46 -2.51 -4.89 1.62 3.02 -1.26 -3.79 115.26 106.99 1irh n ASN 22 Ca 0.00 -3.19 -0.29 0.00 -0.03 0.00 0.00 54.58 51.07 1irh n ASN 22 Cb 0.00 1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 40.62 1irh n ASN 22 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1irh s ARG 23 N 0.45 3.68 -0.31 3.52 1.81 -0.51 -4.75 118.95 122.85 1irh s ARG 23 Ca 0.32 0.22 -0.20 0.00 -1.72 0.00 0.00 55.73 54.35 1irh s ARG 23 Cb 0.20 -2.50 -0.01 0.00 -0.45 0.00 0.00 34.95 32.19 1irh s ARG 23 CO -0.22 0.05 0.63 -0.06 -0.68 0.00 0.00 175.30 175.02 1irh s PHE 24 N -2.30 3.20 -0.18 -0.53 0.40 0.15 0.48 117.98 119.21 1irh s PHE 24 Ca 0.47 0.54 -0.19 0.00 -0.60 0.00 0.00 56.93 57.15 1irh s PHE 24 Cb -0.10 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.39 1irh s PHE 24 CO 0.32 -0.49 0.56 -0.47 0.70 0.00 0.00 175.22 175.84 1irh s TYR 25 N 2.62 3.40 -0.53 0.36 5.04 0.09 -4.01 117.35 124.32 1irh s TYR 25 Ca 0.25 0.86 -0.28 0.00 -2.44 0.00 0.00 57.07 55.46 1irh s TYR 25 Cb -0.15 -2.70 0.02 0.00 0.35 0.00 0.00 41.96 39.48 1irh s TYR 25 CO 0.12 -0.08 1.34 -0.47 -1.34 0.00 0.00 175.55 175.13 1irh s TYR 26 N 1.54 2.42 -0.14 4.97 6.14 -1.26 -0.38 117.35 130.65 1irh s TYR 26 Ca 0.26 0.52 -0.29 0.00 0.64 0.00 0.00 57.07 58.20 1irh s TYR 26 Cb -0.16 -4.41 -0.02 0.00 0.42 0.00 0.00 41.96 37.79 1irh s TYR 26 CO 0.10 -1.83 1.33 -0.80 0.64 0.00 0.00 175.55 174.99 1irh s ASN 27 N 3.85 6.90 0.00 4.32 -0.87 -1.22 -4.86 114.94 123.06 1irh s ASN 27 Ca 0.52 1.81 0.25 0.00 -1.57 0.00 0.00 52.86 53.86 1irh s ASN 27 Cb -0.10 -2.54 1.42 0.00 -0.02 0.00 0.00 41.25 40.01 1irh s ASN 27 CO 0.27 -0.78 1.84 -1.20 -2.57 0.00 0.00 177.10 174.67 1irh n SER 28 N 6.59 0.00 -0.10 -1.22 7.64 -1.26 -1.15 113.62 124.11 1irh n SER 28 Ca 0.14 -0.57 -0.15 0.00 1.01 0.00 0.00 58.87 59.31 1irh n SER 28 Cb 0.44 -0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 1irh n SER 28 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1irh n VAL 29 N -1.09 1.50 -0.00 0.44 0.31 -1.26 -4.73 118.33 113.50 1irh n VAL 29 Ca 0.17 0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.31 1irh n VAL 29 Cb 0.12 -2.22 -0.14 0.00 -0.91 0.00 0.00 33.84 30.69 1irh n VAL 29 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1irh n ILE 30 N -4.43 1.75 0.00 2.52 -5.35 -1.25 -4.99 119.36 107.61 1irh n ILE 30 Ca -0.25 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 1irh n ILE 30 Cb 0.59 -1.64 0.00 0.00 -1.74 0.00 0.00 39.64 36.85 1irh n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1irh n GLY 31 N 1.95 2.73 3.70 3.28 0.00 -0.30 -5.05 105.19 111.49 1irh n GLY 31 Ca -0.31 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1irh n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1irh n LYS 32 N 0.00 2.55 -2.43 1.61 3.00 -1.26 -4.29 118.16 117.33 1irh n LYS 32 Ca 0.00 0.92 -0.43 0.00 -0.00 0.00 0.00 58.31 58.80 1irh n LYS 32 Cb 0.00 -2.75 -0.02 0.00 0.00 0.00 0.00 35.03 32.26 1irh n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1irh s ARG 34 N 4.43 4.11 0.06 0.00 1.81 0.49 -4.66 118.95 125.19 1irh s ARG 34 Ca 0.56 0.51 -0.30 0.00 -1.72 0.00 0.00 55.73 54.78 1irh s ARG 34 Cb -0.14 -3.65 -0.08 0.00 -0.45 0.00 0.00 34.95 30.63 1irh s ARG 34 CO 0.27 -0.40 1.76 -1.25 -0.68 0.00 0.00 175.30 175.00 1irh s PRO 35 N 2.45 4.17 0.13 3.54 0.05 -1.26 -0.74 135.00 143.35 1irh s PRO 35 Ca 0.25 2.43 0.10 0.00 0.05 0.00 0.00 61.00 63.83 1irh s PRO 35 Cb -0.16 -3.77 -0.04 0.00 0.05 0.00 0.00 34.50 30.59 1irh s PRO 35 CO 0.09 -0.82 -0.25 -0.59 0.05 0.00 0.00 177.00 175.47 1irh s PHE 36 N 3.24 2.20 -0.79 0.56 -0.71 0.18 -4.89 117.98 117.77 1irh s PHE 36 Ca 0.78 -0.39 -0.25 0.00 -1.04 0.00 0.00 56.93 56.03 1irh s PHE 36 Cb -0.41 -1.17 -0.04 0.00 -1.21 0.00 0.00 43.02 40.18 1irh s PHE 36 CO 0.35 0.34 1.96 0.15 -1.34 0.00 0.00 175.22 176.67 1irh s LYS 37 N -2.14 2.51 0.80 1.99 1.02 -1.26 -1.42 119.74 121.23 1irh s LYS 37 Ca 0.14 0.11 -0.10 0.00 0.02 0.00 0.00 55.97 56.13 1irh s LYS 37 Cb -0.10 -4.81 0.07 0.00 -0.52 0.00 0.00 37.83 32.48 1irh s LYS 37 CO 0.06 -3.22 1.10 -0.47 -0.92 0.00 0.00 175.35 171.90 1irh s TYR 38 N 10.08 2.43 0.31 3.18 5.04 -1.25 -4.59 117.35 132.57 1irh s TYR 38 Ca 0.71 1.58 -0.05 0.00 -2.44 0.00 0.00 57.07 56.87 1irh s TYR 38 Cb -0.09 -3.09 0.08 0.00 0.35 0.00 0.00 41.96 39.21 1irh s TYR 38 CO 0.08 -1.96 0.21 -1.13 -1.34 0.00 0.00 175.55 171.41 1irh n SER 39 N -3.64 -2.16 -2.74 4.32 3.41 -1.17 -2.57 113.62 109.09 1irh n SER 39 Ca 0.09 -0.32 -0.04 0.00 -0.26 0.00 0.00 58.87 58.35 1irh n SER 39 Cb 0.53 -0.22 0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1irh n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1irh n GLY 40 N -0.71 2.13 1.42 5.00 0.00 -1.19 -4.48 105.19 107.36 1irh n GLY 40 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1irh n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1irh n GLY 42 N 0.63 -1.99 0.00 0.00 0.00 -1.26 -5.12 105.19 97.45 1irh n GLY 42 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 46.02 47.27 1irh n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irh n GLY 43 N 1.87 0.80 0.00 -0.02 0.00 -1.26 -5.04 105.19 101.55 1irh n GLY 43 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1irh n GLY 43 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1irh n ASN 44 N 0.00 0.00 -1.69 1.61 2.85 -1.26 -5.02 115.26 111.75 1irh n ASN 44 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 1irh n ASN 44 Cb 0.00 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.09 1irh n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1irh n GLU 45 N 0.00 1.35 -2.48 1.20 1.02 -1.26 -4.81 120.64 115.65 1irh n GLU 45 Ca 0.00 -3.00 -0.04 0.00 -0.02 0.00 0.00 57.16 54.09 1irh n GLU 45 Cb 0.00 -1.12 0.05 0.00 -0.02 0.00 0.00 31.44 30.35 1irh n GLU 45 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1irh n ASN 46 N -0.33 2.20 -4.63 1.62 6.94 -1.26 -5.06 115.26 114.74 1irh n ASN 46 Ca 0.15 -2.42 -0.40 0.00 -0.02 0.00 0.00 54.58 51.88 1irh n ASN 46 Cb 0.93 -0.44 -0.07 0.00 -2.36 0.00 0.00 39.78 37.85 1irh n ASN 46 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1irh s ASN 47 N -3.58 6.56 -0.44 0.53 0.02 -1.26 -4.98 114.94 111.78 1irh s ASN 47 Ca 0.33 0.68 -0.22 0.00 -1.02 0.00 0.00 52.86 52.62 1irh s ASN 47 Cb 0.35 -2.33 0.02 0.00 0.02 0.00 0.00 41.25 39.31 1irh s ASN 47 CO -0.04 -0.35 0.74 -0.36 0.02 0.00 0.00 177.10 177.11 1irh s PHE 48 N 2.43 3.02 0.39 2.20 0.08 -1.26 -4.92 117.98 119.94 1irh s PHE 48 Ca 0.25 0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.49 1irh s PHE 48 Cb -0.16 -3.54 0.81 0.00 -0.57 0.00 0.00 43.02 39.57 1irh s PHE 48 CO 0.09 -0.93 2.03 0.00 -0.10 0.00 0.00 175.22 176.31 1irh h THR 49 N 5.93 1.09 -2.38 0.64 1.03 -1.91 0.46 112.91 117.77 1irh h THR 49 Ca -0.25 -0.22 -0.54 0.00 -0.01 0.00 0.00 66.41 65.39 1irh h THR 49 Cb 1.09 0.40 -0.13 0.00 -1.07 0.00 0.00 68.15 68.44 1irh h THR 49 CO 0.93 0.12 -0.56 -0.44 -0.01 0.00 0.00 175.52 175.56 1irh s SER 50 N -6.55 2.84 0.09 0.00 0.01 -1.26 -4.67 113.70 104.16 1irh s SER 50 Ca -0.09 -1.54 -0.01 0.00 1.31 0.00 0.00 55.95 55.63 1irh s SER 50 Cb 0.18 0.23 -0.26 0.00 0.21 0.00 0.00 66.02 66.37 1irh s SER 50 CO 0.74 -0.77 1.18 0.50 0.41 0.00 0.00 173.24 175.31 1irh h LYS 51 N 1.86 0.19 -0.16 12.44 3.64 -1.97 -3.18 116.57 129.39 1irh h LYS 51 Ca -0.39 -0.32 0.05 0.00 -1.27 0.00 0.00 60.65 58.72 1irh h LYS 51 Cb 1.27 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1irh h LYS 51 CO 0.65 1.15 0.13 1.96 -2.27 0.00 0.00 179.45 181.08 1irh h GLN 52 N 0.05 0.00 0.15 1.90 1.08 -1.98 -1.54 115.11 114.77 1irh h GLN 52 Ca -0.10 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.79 1irh h GLN 52 Cb 1.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 1irh h GLN 52 CO 0.18 0.00 -1.51 0.93 -0.95 0.00 0.00 178.83 177.48 1irh h GLU 53 N 0.00 0.32 -0.70 1.46 5.08 -1.96 -2.62 114.58 116.16 1irh h GLU 53 Ca 0.08 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1irh h GLU 53 Cb 0.34 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1irh h GLU 53 CO -0.00 1.21 0.43 0.00 -1.00 0.00 0.00 179.01 179.65 1irh h LEU 55 N 0.95 -0.33 -2.48 0.00 -0.00 -1.51 -2.78 115.31 109.15 1irh h LEU 55 Ca 0.25 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1irh h LEU 55 Cb -0.05 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1irh h LEU 55 CO -0.05 0.16 0.16 0.03 -0.00 0.00 0.00 178.44 178.73 1irh h ARG 56 N -1.03 0.00 0.00 1.13 3.08 -1.46 0.23 114.38 116.33 1irh h ARG 56 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1irh h ARG 56 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1irh h ARG 56 CO 0.06 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.95 1irh h ALA 57 N 1.69 0.00 0.04 0.04 0.00 -0.78 -3.19 119.26 117.06 1irh h ALA 57 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1irh h ALA 57 Cb 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1irh h ALA 57 CO 0.00 0.01 -1.68 0.00 0.00 0.00 0.00 179.25 177.58 1irh h LYS 59 N -0.59 -0.37 -0.96 0.00 1.63 -0.84 -3.01 116.57 112.43 1irh h LYS 59 Ca -0.42 0.03 -0.46 0.00 -0.85 0.00 0.00 60.65 58.95 1irh h LYS 59 Cb 1.61 0.08 -0.27 0.00 -0.60 0.00 0.00 32.23 33.05 1irh h LYS 59 CO -0.12 -0.12 0.58 1.17 -3.45 0.00 0.00 179.45 177.50 1irh n LYS 60 N -5.18 2.48 0.00 1.90 4.81 0.36 -4.98 118.16 117.55 1irh n LYS 60 Ca -0.10 -2.96 0.14 0.00 -0.87 0.00 0.00 58.31 54.52 1irh n LYS 60 Cb 0.22 -2.16 0.82 0.00 0.02 0.00 0.00 35.03 33.93 1irh n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98