#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 0.00 -0.82 -0.32 3.57 -2.09 -3.10 116.94 114.18 1irh h PHE 2 Ca 0.00 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 61.11 1irh h PHE 2 Cb 0.00 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 38.51 1irh h PHE 2 CO 0.00 0.40 0.50 1.58 -2.23 0.00 0.00 178.31 178.56 1irh n HIS 3 N -3.36 2.58 -0.05 0.41 -0.00 -1.26 -4.93 115.22 108.61 1irh n HIS 3 Ca 0.01 -1.54 0.00 0.00 0.46 0.00 0.00 57.72 56.65 1irh n HIS 3 Cb 0.60 -0.81 0.00 0.00 -0.12 0.00 0.00 29.99 29.66 1irh n HIS 3 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irh n GLY 4 N -0.74 0.43 3.44 1.57 0.00 -1.17 -5.02 105.19 103.70 1irh n GLY 4 Ca 0.49 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 1irh n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1irh s PRO 5 N 0.14 -1.42 -0.24 1.61 0.04 -1.26 -4.97 135.00 128.90 1irh s PRO 5 Ca 0.00 0.73 0.10 0.00 0.04 0.00 0.00 61.00 61.86 1irh s PRO 5 Cb 0.00 -1.50 0.44 0.00 0.04 0.00 0.00 34.50 33.47 1irh s PRO 5 CO 0.00 -4.03 1.21 -1.13 0.04 0.00 0.00 177.00 173.09 1irh n SER 6 N -5.12 2.89 0.00 6.66 3.41 -1.26 -4.66 113.62 115.55 1irh n SER 6 Ca 0.03 -3.82 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1irh n SER 6 Cb 0.55 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1irh n SER 6 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1irh n TRP 7 N -0.95 0.00 0.15 7.33 4.27 -1.26 -4.58 117.44 122.39 1irh n TRP 7 Ca 0.28 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.94 1irh n TRP 7 Cb 0.80 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.80 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 -3.15 1.58 -4.80 0.00 -0.00 -1.26 -4.54 117.00 104.83 1irh n LEU 9 Ca 0.01 -2.41 -0.34 0.00 -0.00 0.00 0.00 56.01 53.27 1irh n LEU 9 Cb 0.69 -0.29 -0.03 0.00 -0.00 0.00 0.00 43.42 43.79 1irh n LEU 9 CO 0.39 0.57 0.72 0.28 -0.00 0.00 0.00 177.39 179.35 1irh s THR 10 N -1.92 3.75 0.17 1.47 -1.32 -1.25 -4.85 115.64 111.68 1irh s THR 10 Ca 0.22 1.05 -0.33 0.00 -1.21 0.00 0.00 61.69 61.42 1irh s THR 10 Cb 0.19 -3.43 -0.13 0.00 -1.51 0.00 0.00 72.50 67.63 1irh s THR 10 CO 0.02 -0.27 1.69 -2.65 -2.21 0.00 0.00 174.62 171.19 1irh n PRO 11 N -1.14 2.50 -1.68 7.08 -0.01 -1.26 -4.88 135.00 135.62 1irh n PRO 11 Ca 0.09 0.90 -0.45 0.00 -0.01 0.00 0.00 63.50 64.04 1irh n PRO 11 Cb 0.52 -2.73 -0.03 0.00 -0.01 0.00 0.00 33.50 31.25 1irh n PRO 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1irh n ALA 12 N 4.05 1.50 -2.46 3.55 0.00 -1.26 -4.88 120.51 121.01 1irh n ALA 12 Ca 0.17 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.64 1irh n ALA 12 Cb 0.32 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 1irh n ALA 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1irh s ASP 13 N 0.71 6.09 -0.58 0.00 -1.08 -1.26 -4.88 116.67 115.66 1irh s ASP 13 Ca 0.74 -0.65 0.06 0.00 -0.52 0.00 0.00 52.55 52.18 1irh s ASP 13 Cb -0.64 -2.56 0.23 0.00 -1.46 0.00 0.00 42.92 38.49 1irh s ASP 13 CO 0.42 -1.87 0.64 -1.14 0.52 0.00 0.00 175.17 173.74 1irh n ARG 14 N 9.19 1.91 0.00 4.34 0.63 -1.26 -4.29 116.66 127.17 1irh n ARG 14 Ca 0.16 -4.25 0.00 0.00 -0.92 0.00 0.00 57.85 52.83 1irh n ARG 14 Cb 0.50 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.40 1irh n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1irh n GLY 15 N 1.25 -1.86 0.88 5.14 0.00 -1.26 -5.00 105.19 104.34 1irh n GLY 15 Ca 0.27 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.32 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 -3.82 0.99 4.77 -1.26 -5.07 117.00 112.61 1irh n LEU 16 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1irh n LEU 16 Cb 0.00 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1irh n LEU 16 CO 0.00 -0.22 0.06 0.00 -1.33 0.00 0.00 177.39 175.90 1irh n ARG 18 N -0.20 3.01 -3.97 0.00 1.85 -1.26 -4.46 116.66 111.62 1irh n ARG 18 Ca -0.12 -2.24 -0.35 0.00 -1.00 0.00 0.00 57.85 54.14 1irh n ARG 18 Cb 0.63 -2.96 -0.13 0.00 -1.05 0.00 0.00 32.46 28.95 1irh n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1irh s ALA 19 N 2.95 3.05 -1.20 2.89 0.00 -1.26 -4.96 121.76 123.23 1irh s ALA 19 Ca 0.57 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1irh s ALA 19 Cb 0.15 -1.84 0.10 0.00 0.00 0.00 0.00 23.12 21.53 1irh s ALA 19 CO -0.05 -0.26 2.48 0.09 0.00 0.00 0.00 175.76 178.02 1irh n ASN 20 N 4.46 7.83 -4.76 0.00 3.02 -1.26 -4.17 115.26 120.38 1irh n ASN 20 Ca -0.17 -3.12 -0.39 0.00 -0.03 0.00 0.00 54.58 50.87 1irh n ASN 20 Cb 0.52 -1.35 -0.05 0.00 -0.61 0.00 0.00 39.78 38.28 1irh n ASN 20 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1irh s GLU 21 N -1.10 4.35 -1.11 3.52 8.01 -0.96 -4.90 118.70 126.52 1irh s GLU 21 Ca 0.56 0.79 -0.11 0.00 0.01 0.00 0.00 54.97 56.22 1irh s GLU 21 Cb 0.21 -3.35 0.25 0.00 -4.31 0.00 0.00 34.13 26.93 1irh s GLU 21 CO -0.11 0.34 1.16 -0.80 0.01 0.00 0.00 175.26 175.85 1irh s ASN 22 N -0.12 7.21 0.17 -0.19 -0.87 -1.26 0.12 114.94 119.99 1irh s ASN 22 Ca 0.32 -3.35 -0.13 0.00 -1.57 0.00 0.00 52.86 48.13 1irh s ASN 22 Cb -0.18 -2.26 -0.07 0.00 -0.02 0.00 0.00 41.25 38.72 1irh s ASN 22 CO 0.18 -0.43 0.55 -0.13 -2.57 0.00 0.00 177.10 174.70 1irh s ARG 23 N -0.41 3.94 -0.52 -0.60 1.81 -0.80 -4.82 118.95 117.56 1irh s ARG 23 Ca 0.32 0.45 -0.22 0.00 -1.72 0.00 0.00 55.73 54.57 1irh s ARG 23 Cb -0.08 -2.87 0.05 0.00 -0.45 0.00 0.00 34.95 31.60 1irh s ARG 23 CO -0.06 0.44 0.77 -0.06 -0.68 0.00 0.00 175.30 175.71 1irh s PHE 24 N -1.54 2.94 -0.12 -0.53 0.08 -0.42 -0.49 117.98 117.89 1irh s PHE 24 Ca 0.40 -0.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.99 1irh s PHE 24 Cb -0.14 -3.76 -0.03 0.00 -0.57 0.00 0.00 43.02 38.51 1irh s PHE 24 CO 0.19 -1.16 0.63 -0.47 -0.10 0.00 0.00 175.22 174.32 1irh s TYR 25 N 3.25 3.49 -0.25 0.36 5.04 -0.86 -3.71 117.35 124.68 1irh s TYR 25 Ca 0.23 1.07 -0.29 0.00 -2.44 0.00 0.00 57.07 55.64 1irh s TYR 25 Cb -0.16 -2.75 -0.02 0.00 0.35 0.00 0.00 41.96 39.38 1irh s TYR 25 CO 0.16 0.01 1.60 -0.47 -1.34 0.00 0.00 175.55 175.51 1irh s TYR 26 N 1.16 2.13 -0.19 4.97 6.14 -1.26 -0.69 117.35 129.61 1irh s TYR 26 Ca 0.32 0.58 -0.20 0.00 0.64 0.00 0.00 57.07 58.41 1irh s TYR 26 Cb -0.16 -4.01 -0.03 0.00 0.42 0.00 0.00 41.96 38.18 1irh s TYR 26 CO 0.14 -2.80 0.59 1.21 0.64 0.00 0.00 175.55 175.33 1irh s ASN 27 N 4.29 6.66 0.00 4.32 3.84 -1.08 -4.60 114.94 128.36 1irh s ASN 27 Ca 0.71 0.80 0.20 0.00 0.21 0.00 0.00 52.86 54.77 1irh s ASN 27 Cb -0.23 -2.33 1.12 0.00 -0.55 0.00 0.00 41.25 39.25 1irh s ASN 27 CO 0.29 -0.22 1.73 -0.24 -2.79 0.00 0.00 177.10 175.87 1irh n SER 28 N 4.82 0.22 -0.13 -4.21 2.88 -1.26 -1.84 113.62 114.10 1irh n SER 28 Ca -0.03 -1.43 -0.26 0.00 -1.33 0.00 0.00 58.87 55.82 1irh n SER 28 Cb 0.50 -0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 1irh n SER 28 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1irh n VAL 29 N -0.66 1.48 -0.00 2.46 0.31 -1.26 -4.68 118.33 115.98 1irh n VAL 29 Ca 0.15 -0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 1irh n VAL 29 Cb 0.10 -1.93 -0.14 0.00 -0.91 0.00 0.00 33.84 30.97 1irh n VAL 29 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1irh h ILE 30 N -0.97 0.79 0.00 2.52 3.07 -2.00 -3.49 117.51 117.43 1irh h ILE 30 Ca -0.60 -2.57 0.00 0.00 1.55 0.00 0.00 64.86 63.24 1irh h ILE 30 Cb 1.52 2.48 0.00 0.00 -0.27 0.00 0.00 36.82 40.55 1irh h ILE 30 CO -0.36 0.68 0.00 0.61 -1.05 0.00 0.00 178.15 178.03 1irh n GLY 31 N 1.74 3.20 3.89 0.16 0.00 -0.77 -5.08 105.19 108.33 1irh n GLY 31 Ca -0.23 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1irh n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1irh s LYS 32 N 0.00 2.49 -0.23 1.61 0.00 -1.26 -4.51 119.74 117.83 1irh s LYS 32 Ca 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 55.97 56.07 1irh s LYS 32 Cb 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 37.83 35.82 1irh s LYS 32 CO 0.00 -1.27 0.71 0.00 0.00 0.00 0.00 175.35 174.79 1irh s ARG 34 N 2.46 4.18 -0.14 0.00 1.04 0.13 -4.67 118.95 121.95 1irh s ARG 34 Ca 0.30 0.59 -0.29 0.00 -1.04 0.00 0.00 55.73 55.29 1irh s ARG 34 Cb -0.16 -3.60 -0.05 0.00 -2.04 0.00 0.00 34.95 29.10 1irh s ARG 34 CO 0.09 -0.28 1.94 -1.25 -0.04 0.00 0.00 175.30 175.75 1irh s PRO 35 N 2.07 3.66 0.17 3.89 0.05 -1.26 -2.04 135.00 141.54 1irh s PRO 35 Ca 0.28 2.08 0.08 0.00 0.05 0.00 0.00 61.00 63.49 1irh s PRO 35 Cb -0.16 -4.20 -0.04 0.00 0.05 0.00 0.00 34.50 30.15 1irh s PRO 35 CO 0.10 -1.49 -0.07 -0.59 0.05 0.00 0.00 177.00 175.00 1irh s PHE 36 N 6.11 2.70 -0.87 0.56 -0.71 0.36 -4.90 117.98 121.23 1irh s PHE 36 Ca 0.87 -0.19 -0.25 0.00 -1.04 0.00 0.00 56.93 56.32 1irh s PHE 36 Cb -0.33 -1.33 -0.00 0.00 -1.21 0.00 0.00 43.02 40.15 1irh s PHE 36 CO 0.35 0.50 1.68 0.21 -1.34 0.00 0.00 175.22 176.62 1irh s LYS 37 N -2.78 2.99 0.63 1.99 2.20 -1.25 -1.90 119.74 121.61 1irh s LYS 37 Ca 0.25 -0.39 -0.15 0.00 -0.36 0.00 0.00 55.97 55.32 1irh s LYS 37 Cb -0.09 -4.91 -0.02 0.00 -1.51 0.00 0.00 37.83 31.30 1irh s LYS 37 CO 0.16 -2.72 1.08 -0.47 -0.36 0.00 0.00 175.35 173.04 1irh s TYR 38 N 7.65 2.86 0.28 4.03 5.04 0.31 -4.75 117.35 132.77 1irh s TYR 38 Ca 0.57 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.73 1irh s TYR 38 Cb -0.06 -3.06 0.05 0.00 0.35 0.00 0.00 41.96 39.25 1irh s TYR 38 CO 0.02 -1.34 0.39 0.45 -1.34 0.00 0.00 175.55 173.73 1irh n SER 39 N -2.27 0.64 -2.84 4.32 2.88 -1.26 -2.26 113.62 112.84 1irh n SER 39 Ca 0.09 -1.51 -0.17 0.00 -1.33 0.00 0.00 58.87 55.95 1irh n SER 39 Cb 0.53 -0.24 -0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1irh n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1irh n GLY 40 N 1.92 3.46 1.06 0.46 0.00 -1.26 -4.82 105.19 106.02 1irh n GLY 40 Ca 0.07 -1.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.21 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 0.16 0.33 0.00 0.00 0.00 -1.26 -4.96 105.19 99.47 1irh n GLY 42 Ca -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 -0.50 0.11 -0.02 0.00 -1.26 -4.88 105.19 98.64 1irh n GLY 43 Ca 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 46.02 43.77 1irh n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1irh n ASN 44 N 0.00 -0.61 -0.81 1.61 4.13 -1.26 -4.99 115.26 113.33 1irh n ASN 44 Ca 0.00 -0.72 0.02 0.00 1.68 0.00 0.00 54.58 55.56 1irh n ASN 44 Cb 0.00 -0.03 0.20 0.00 -1.54 0.00 0.00 39.78 38.41 1irh n ASN 44 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1irh n GLU 45 N -1.39 1.73 -1.29 3.52 4.07 -1.26 -4.67 120.64 121.35 1irh n GLU 45 Ca 0.00 -3.18 -0.18 0.00 -0.06 0.00 0.00 57.16 53.74 1irh n GLU 45 Cb 0.02 -1.70 0.12 0.00 -0.06 0.00 0.00 31.44 29.81 1irh n GLU 45 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1irh n ASN 46 N -1.12 4.39 -4.46 4.31 6.94 -1.26 -4.95 115.26 119.11 1irh n ASN 46 Ca 0.25 -3.77 -0.43 0.00 -0.02 0.00 0.00 54.58 50.60 1irh n ASN 46 Cb 0.84 -0.65 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 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 -2.59 6.23 -0.32 0.53 0.01 -1.26 -4.78 114.94 112.76 1irh s ASN 47 Ca 0.52 -0.87 -0.24 0.00 -0.71 0.00 0.00 52.86 51.55 1irh s ASN 47 Cb 0.44 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1irh s ASN 47 CO 0.01 -1.17 0.83 -0.36 -1.51 0.00 0.00 177.10 174.90 1irh s PHE 48 N 3.39 3.18 0.43 2.20 0.08 -1.24 -4.92 117.98 121.10 1irh s PHE 48 Ca 0.20 0.81 0.20 0.00 0.12 0.00 0.00 56.93 58.26 1irh s PHE 48 Cb -0.18 -3.32 1.17 0.00 -0.57 0.00 0.00 43.02 40.12 1irh s PHE 48 CO 0.12 -0.63 2.01 0.00 -0.10 0.00 0.00 175.22 176.63 1irh h THR 49 N 5.65 0.91 -4.91 0.64 1.03 -1.91 -1.12 112.91 113.20 1irh h THR 49 Ca -0.24 -0.65 -0.57 0.00 -0.01 0.00 0.00 66.41 64.94 1irh h THR 49 Cb 1.09 1.37 -0.12 0.00 -1.07 0.00 0.00 68.15 69.42 1irh h THR 49 CO 0.91 0.17 -0.45 -1.20 -0.01 0.00 0.00 175.52 174.94 1irh n SER 50 N -4.02 2.01 -0.12 0.00 7.64 -1.26 -4.78 113.62 113.10 1irh n SER 50 Ca -0.02 -3.11 -0.21 0.00 1.01 0.00 0.00 58.87 56.54 1irh n SER 50 Cb 0.26 0.75 -0.12 0.00 -1.01 0.00 0.00 64.21 64.09 1irh n SER 50 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1irh n LYS 51 N -1.01 0.65 -0.08 1.43 4.81 -1.26 -3.71 118.16 118.99 1irh n LYS 51 Ca -0.11 0.19 0.15 0.00 -0.87 0.00 0.00 58.31 57.67 1irh n LYS 51 Cb 0.60 -1.54 0.55 0.00 0.02 0.00 0.00 35.03 34.66 1irh n LYS 51 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1irh h GLN 52 N -0.22 0.30 0.00 1.64 3.07 -2.00 0.08 115.11 117.99 1irh h GLN 52 Ca -0.59 -0.02 -0.22 0.00 0.09 0.00 0.00 58.65 57.91 1irh h GLN 52 Cb 1.84 -0.07 -0.03 0.00 0.08 0.00 0.00 27.48 29.30 1irh h GLN 52 CO -0.15 0.20 -1.10 1.49 0.09 0.00 0.00 178.83 179.37 1irh h GLU 53 N 0.31 0.01 -0.25 0.06 4.57 -1.97 -2.68 114.58 114.63 1irh h GLU 53 Ca 0.29 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.48 1irh h GLU 53 Cb 0.72 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 1irh h GLU 53 CO -0.07 0.94 0.09 0.00 -1.18 0.00 0.00 179.01 178.79 1irh h LEU 55 N 0.21 0.78 -1.19 0.00 3.38 -1.59 -2.65 115.31 114.25 1irh h LEU 55 Ca 0.11 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1irh h LEU 55 Cb 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1irh h LEU 55 CO -0.10 1.39 0.00 -1.14 0.09 0.00 0.00 178.44 178.68 1irh n ARG 56 N -4.01 0.14 -0.03 1.13 0.63 -1.01 -1.22 116.66 112.29 1irh n ARG 56 Ca -0.10 0.58 -0.03 0.00 -0.92 0.00 0.00 57.85 57.38 1irh n ARG 56 Cb 0.77 -1.91 -0.01 0.00 0.45 0.00 0.00 32.46 31.76 1irh n ARG 56 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1irh n ALA 57 N -1.76 0.32 0.05 5.13 0.00 -0.18 -3.99 120.51 120.09 1irh n ALA 57 Ca -0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 53.44 52.94 1irh n ALA 57 Cb 0.08 0.01 0.14 0.00 0.00 0.00 0.00 19.45 19.68 1irh n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irh h LYS 59 N 0.30 0.17 -5.45 0.00 3.64 -1.35 -3.49 116.57 110.39 1irh h LYS 59 Ca 0.02 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 1irh h LYS 59 Cb 0.95 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1irh h LYS 59 CO 0.08 0.92 -0.56 1.17 -2.27 0.00 0.00 179.45 178.79 1irh n LYS 60 N -4.50 -2.27 0.00 1.90 3.00 -1.16 -5.05 118.16 110.08 1irh n LYS 60 Ca -0.10 2.00 0.05 0.00 -0.00 0.00 0.00 58.31 60.26 1irh n LYS 60 Cb 0.51 -5.22 0.04 0.00 0.00 0.00 0.00 35.03 30.35 1irh n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81