#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilr s MET 10 N 0.00 4.20 -0.04 -1.58 -2.45 -1.25 -4.47 119.30 113.71 1ilr s MET 10 Ca 0.00 2.26 0.05 0.00 -1.25 0.00 0.00 55.69 56.75 1ilr s MET 10 Cb 0.00 -3.75 -0.02 0.00 1.25 0.00 0.00 34.83 32.31 1ilr s MET 10 CO 0.00 -0.76 -0.19 -0.65 1.05 0.00 0.00 175.02 174.47 1ilr s GLN 11 N 3.15 2.35 -0.01 4.11 -0.21 0.17 -4.90 119.66 124.32 1ilr s GLN 11 Ca 0.73 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 55.31 1ilr s GLN 11 Cb -0.37 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 1ilr s GLN 11 CO 0.31 0.60 0.12 0.00 -2.12 0.00 0.00 175.29 174.20 1ilr s ALA 12 N -0.68 3.73 0.06 6.09 0.00 -1.26 0.52 121.76 130.22 1ilr s ALA 12 Ca 0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 1ilr s ALA 12 Cb -0.10 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1ilr s ALA 12 CO -0.00 0.71 0.08 -0.06 0.00 0.00 0.00 175.76 176.49 1ilr s PHE 13 N -1.24 0.31 0.05 0.00 0.40 -0.17 -0.65 117.98 116.68 1ilr s PHE 13 Ca 0.24 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1ilr s PHE 13 Cb -0.12 -0.21 -0.04 0.00 0.51 0.00 0.00 43.02 43.16 1ilr s PHE 13 CO 0.15 -0.44 -0.00 1.03 0.70 0.00 0.00 175.22 176.66 1ilr s ARG 14 N -3.64 2.64 0.03 0.44 0.52 0.39 -0.18 118.95 119.15 1ilr s ARG 14 Ca 0.04 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.53 1ilr s ARG 14 Cb 0.05 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 1ilr s ARG 14 CO -0.09 0.58 -0.07 -1.50 0.02 0.00 0.00 175.30 174.23 1ilr s ILE 15 N -1.21 0.50 -0.26 1.52 2.07 -1.26 -1.09 121.20 121.47 1ilr s ILE 15 Ca 0.23 -0.80 -0.25 0.00 -1.41 0.00 0.00 60.65 58.41 1ilr s ILE 15 Cb -0.12 -0.53 0.09 0.00 0.13 0.00 0.00 42.46 42.04 1ilr s ILE 15 CO 0.15 -0.22 0.85 -1.66 -1.91 0.00 0.00 174.94 172.15 1ilr s TRP 16 N -0.97 -0.65 0.86 3.50 -2.14 -1.05 -4.47 118.94 114.01 1ilr s TRP 16 Ca -0.06 1.56 -0.12 0.00 2.66 0.00 0.00 56.10 60.14 1ilr s TRP 16 Cb -0.07 0.32 0.14 0.00 -3.10 0.00 0.00 33.47 30.75 1ilr s TRP 16 CO 0.00 -0.33 1.20 0.16 -2.66 0.00 0.00 176.95 175.33 1ilr s ASP 17 N 0.23 3.86 0.22 -2.66 1.47 -0.49 -0.60 116.67 118.70 1ilr s ASP 17 Ca 0.01 0.34 0.13 0.00 1.18 0.00 0.00 52.55 54.21 1ilr s ASP 17 Cb -0.05 -0.62 0.72 0.00 -0.34 0.00 0.00 42.92 42.63 1ilr s ASP 17 CO -0.02 -2.25 1.37 1.33 0.68 0.00 0.00 175.17 176.28 1ilr n VAL 18 N -3.41 1.22 -0.47 2.11 0.24 -0.97 0.10 118.33 117.15 1ilr n VAL 18 Ca 0.12 0.66 0.09 0.00 -2.04 0.00 0.00 64.34 63.18 1ilr n VAL 18 Cb 0.60 -1.66 0.29 0.00 -1.47 0.00 0.00 33.84 31.60 1ilr n VAL 18 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ilr n ASN 19 N -1.96 4.01 -0.56 -1.34 3.02 -1.26 -4.95 115.26 112.21 1ilr n ASN 19 Ca -0.01 -2.25 -0.07 0.00 -0.03 0.00 0.00 54.58 52.22 1ilr n ASN 19 Cb 0.08 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 1ilr n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ilr n GLN 20 N 1.01 -0.61 -3.05 3.52 1.13 0.12 -5.02 117.38 114.48 1ilr n GLN 20 Ca 0.22 0.72 -0.37 0.00 -1.94 0.00 0.00 57.00 55.64 1ilr n GLN 20 Cb 0.70 -4.55 -0.06 0.00 0.11 0.00 0.00 30.24 26.44 1ilr n GLN 20 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1ilr s LYS 21 N -2.48 4.33 0.24 -1.09 1.02 -1.26 -4.81 119.74 115.69 1ilr s LYS 21 Ca 0.00 0.96 0.10 0.00 0.02 0.00 0.00 55.97 57.05 1ilr s LYS 21 Cb 0.00 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1ilr s LYS 21 CO 0.00 0.40 -0.11 0.95 -0.92 0.00 0.00 175.35 175.67 1ilr s THR 22 N -1.50 2.99 0.11 2.17 -4.23 -0.27 -1.40 115.64 113.52 1ilr s THR 22 Ca 0.43 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.78 1ilr s THR 22 Cb -0.18 -2.54 -0.07 0.00 1.34 0.00 0.00 72.50 71.05 1ilr s THR 22 CO 0.22 -0.28 0.56 -0.36 -0.54 0.00 0.00 174.62 174.22 1ilr s PHE 23 N -2.14 3.71 0.09 3.99 0.40 -1.26 -1.48 117.98 121.29 1ilr s PHE 23 Ca 0.28 1.18 -0.23 0.00 -0.60 0.00 0.00 56.93 57.55 1ilr s PHE 23 Cb -0.07 -2.44 0.06 0.00 0.51 0.00 0.00 43.02 41.08 1ilr s PHE 23 CO 0.16 0.51 0.56 1.52 0.70 0.00 0.00 175.22 178.67 1ilr s TYR 24 N -1.29 -0.48 0.05 0.36 1.13 -0.58 -0.94 117.35 115.60 1ilr s TYR 24 Ca 0.33 0.45 -0.20 0.00 -1.41 0.00 0.00 57.07 56.24 1ilr s TYR 24 Cb -0.17 0.43 -0.06 0.00 -1.10 0.00 0.00 41.96 41.05 1ilr s TYR 24 CO 0.19 -0.73 0.59 -0.51 -2.51 0.00 0.00 175.55 172.58 1ilr s LEU 25 N -2.25 4.49 -0.19 -3.49 1.43 -1.26 -1.18 118.68 116.22 1ilr s LEU 25 Ca -0.03 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1ilr s LEU 25 Cb -0.00 -2.93 0.06 0.00 0.03 0.00 0.00 46.19 43.35 1ilr s LEU 25 CO -0.06 0.20 0.07 -0.60 0.23 0.00 0.00 176.35 176.20 1ilr s ARG 26 N -0.74 0.30 -1.45 1.70 3.52 -0.55 -4.74 118.95 116.99 1ilr s ARG 26 Ca 0.30 -0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.57 1ilr s ARG 26 Cb -0.19 -1.90 0.01 0.00 -1.56 0.00 0.00 34.95 31.31 1ilr s ARG 26 CO 0.19 -0.69 0.96 0.09 -0.81 0.00 0.00 175.30 175.03 1ilr n ASN 27 N 5.18 -6.30 -2.10 -2.12 5.03 -1.26 -1.39 115.26 112.30 1ilr n ASN 27 Ca -0.08 -0.44 -0.19 0.00 0.87 0.00 0.00 54.58 54.74 1ilr n ASN 27 Cb 0.48 -5.01 -0.04 0.00 -1.02 0.00 0.00 39.78 34.19 1ilr n ASN 27 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1ilr n ASN 28 N -2.82 -5.41 -4.21 6.41 4.13 -1.26 -4.96 115.26 107.13 1ilr n ASN 28 Ca -0.04 0.19 -0.33 0.00 1.68 0.00 0.00 54.58 56.08 1ilr n ASN 28 Cb 0.58 -4.62 -0.16 0.00 -1.54 0.00 0.00 39.78 34.05 1ilr n ASN 28 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1ilr s GLN 29 N -4.54 3.12 -0.27 3.52 0.74 -0.49 -5.02 119.66 116.73 1ilr s GLN 29 Ca 0.00 -0.79 -0.28 0.00 0.05 0.00 0.00 55.36 54.33 1ilr s GLN 29 Cb 0.00 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 1ilr s GLN 29 CO 0.00 -0.03 1.97 -1.17 -0.55 0.00 0.00 175.29 175.51 1ilr s LEU 30 N 0.89 3.52 0.33 3.68 2.96 -1.26 -1.49 118.68 127.31 1ilr s LEU 30 Ca -0.04 1.59 0.10 0.00 -0.22 0.00 0.00 54.13 55.56 1ilr s LEU 30 Cb -0.15 -3.52 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 1ilr s LEU 30 CO -0.02 -1.77 -0.07 0.68 -1.32 0.00 0.00 176.35 173.84 1ilr s VAL 31 N 7.33 2.43 -0.09 1.68 -7.23 -0.33 -1.03 120.40 123.17 1ilr s VAL 31 Ca 0.88 -2.14 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 1ilr s VAL 31 Cb -0.27 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1ilr s VAL 31 CO 0.34 -0.23 -0.20 0.00 -0.31 0.00 0.00 175.10 174.70 1ilr s ALA 32 N -2.56 1.85 0.00 1.32 0.00 -0.82 -1.53 121.76 120.02 1ilr s ALA 32 Ca 0.33 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1ilr s ALA 32 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1ilr s ALA 32 CO 0.17 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1ilr n GLY 33 N 3.58 2.82 3.26 0.00 0.00 -0.55 -0.47 105.19 113.83 1ilr n GLY 33 Ca -0.20 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1ilr n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ilr s TYR 34 N -4.11 2.99 0.02 1.61 2.02 -1.26 -1.11 117.35 117.51 1ilr s TYR 34 Ca 0.00 -1.22 -0.20 0.00 -0.37 0.00 0.00 57.07 55.28 1ilr s TYR 34 Cb 0.00 -2.08 -0.06 0.00 -0.40 0.00 0.00 41.96 39.42 1ilr s TYR 34 CO 0.00 -0.64 0.57 -0.51 -1.57 0.00 0.00 175.55 173.40 1ilr s LEU 35 N 1.41 4.46 0.07 -1.29 1.43 -1.26 -5.07 118.68 118.42 1ilr s LEU 35 Ca 0.04 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.32 1ilr s LEU 35 Cb -0.15 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1ilr s LEU 35 CO -0.04 0.18 -0.05 -1.10 0.23 0.00 0.00 176.35 175.57 1ilr s GLN 36 N -0.58 0.66 5.76 1.70 -0.21 -1.26 -4.70 119.66 121.03 1ilr s GLN 36 Ca 0.30 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.54 1ilr s GLN 36 Cb -0.18 -0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.77 1ilr s GLN 36 CO 0.17 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 1ilr n GLY 37 N 0.40 2.72 0.00 3.09 0.00 -1.26 -1.66 105.19 108.49 1ilr n GLY 37 Ca -0.16 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.53 1ilr n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ilr n PRO 38 N 13.27 0.66 0.00 1.61 -0.04 -1.26 -2.90 135.00 146.34 1ilr n PRO 38 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1ilr n PRO 38 Cb 0.00 -1.36 0.54 0.00 -0.04 0.00 0.00 33.50 32.64 1ilr n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ilr n ASN 39 N -0.86 0.30 0.27 3.54 3.02 -0.66 -3.50 115.26 117.37 1ilr n ASN 39 Ca 0.12 -0.12 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 1ilr n ASN 39 Cb 0.05 -0.15 0.78 0.00 -0.61 0.00 0.00 39.78 39.86 1ilr n ASN 39 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1ilr h VAL 40 N 0.22 0.46 0.00 2.41 -1.51 -1.67 -0.57 116.25 115.59 1ilr h VAL 40 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1ilr h VAL 40 Cb 0.43 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1ilr h VAL 40 CO 0.00 0.09 0.00 0.59 -1.23 0.00 0.00 177.57 177.02 1ilr n ASN 41 N -3.55 0.00 -0.14 4.19 4.13 -1.23 -2.44 115.26 116.22 1ilr n ASN 41 Ca -0.02 -0.01 0.14 0.00 1.68 0.00 0.00 54.58 56.37 1ilr n ASN 41 Cb 0.22 -0.24 0.54 0.00 -1.54 0.00 0.00 39.78 38.76 1ilr n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ilr n LEU 42 N -1.24 0.60 -4.74 3.41 4.77 -0.22 -4.93 117.00 114.66 1ilr n LEU 42 Ca 0.08 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1ilr n LEU 42 Cb 0.10 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1ilr n LEU 42 CO 0.11 0.11 1.29 1.21 -1.33 0.00 0.00 177.39 178.78 1ilr n GLU 43 N -0.91 2.73 -3.65 3.23 2.13 -1.02 -4.39 120.64 118.76 1ilr n GLU 43 Ca 0.13 0.98 -0.37 0.00 0.66 0.00 0.00 57.16 58.56 1ilr n GLU 43 Cb 0.30 -2.78 -0.11 0.00 0.27 0.00 0.00 31.44 29.12 1ilr n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ilr s GLU 44 N 0.09 3.91 0.42 5.31 0.41 -0.12 -4.99 118.70 123.73 1ilr s GLU 44 Ca 0.68 -0.35 -0.17 0.00 -0.41 0.00 0.00 54.97 54.72 1ilr s GLU 44 Cb -0.50 -3.56 -0.09 0.00 -1.78 0.00 0.00 34.13 28.20 1ilr s GLU 44 CO 0.43 -0.13 0.88 0.15 -0.49 0.00 0.00 175.26 176.10 1ilr s LYS 45 N 1.58 4.05 -0.20 1.61 3.01 -1.26 -4.61 119.74 123.92 1ilr s LYS 45 Ca 0.07 0.89 -0.08 0.00 -1.01 0.00 0.00 55.97 55.84 1ilr s LYS 45 Cb -0.15 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.37 1ilr s LYS 45 CO 0.08 -0.04 0.09 0.42 0.51 0.00 0.00 175.35 176.41 1ilr s ILE 46 N -2.26 5.01 -0.03 2.17 -1.09 0.75 -4.55 121.20 121.19 1ilr s ILE 46 Ca 0.58 0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.89 1ilr s ILE 46 Cb -0.10 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.45 1ilr s ILE 46 CO 0.20 0.44 0.42 -1.81 -1.23 0.00 0.00 174.94 172.96 1ilr s ASP 47 N 0.49 6.77 -0.02 3.58 1.01 0.94 -1.00 116.67 128.44 1ilr s ASP 47 Ca 0.05 0.92 0.04 0.00 0.71 0.00 0.00 52.55 54.26 1ilr s ASP 47 Cb -0.12 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.55 1ilr s ASP 47 CO 0.00 0.24 -0.13 -0.69 0.21 0.00 0.00 175.17 174.81 1ilr s VAL 48 N -0.62 1.03 -0.32 -1.27 1.01 0.18 -1.04 120.40 119.38 1ilr s VAL 48 Ca 0.24 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1ilr s VAL 48 Cb -0.16 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.43 1ilr s VAL 48 CO 0.12 0.30 0.08 -0.69 0.00 0.00 0.00 175.10 174.92 1ilr s VAL 49 N -0.05 1.32 0.74 2.92 1.01 -1.05 0.45 120.40 125.74 1ilr s VAL 49 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.15 1ilr s VAL 49 Cb -0.08 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1ilr s VAL 49 CO 0.00 -0.64 1.17 -2.16 0.00 0.00 0.00 175.10 173.47 1ilr s PRO 50 N 1.39 2.18 -0.33 2.72 0.04 -1.26 -0.82 135.00 138.92 1ilr s PRO 50 Ca 0.10 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 1ilr s PRO 50 Cb -0.18 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1ilr s PRO 50 CO -0.19 -1.77 0.14 0.42 0.04 0.00 0.00 177.00 175.64 1ilr s ILE 51 N -2.19 0.65 0.26 0.56 1.01 0.16 -4.84 121.20 116.81 1ilr s ILE 51 Ca 0.71 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 1ilr s ILE 51 Cb -0.26 -1.49 -0.13 0.00 0.01 0.00 0.00 42.46 40.59 1ilr s ILE 51 CO 0.46 -0.77 1.30 1.21 0.00 0.00 0.00 174.94 177.15 1ilr n GLU 52 N 4.61 1.88 0.00 2.79 0.00 -1.26 -0.87 120.64 127.79 1ilr n GLU 52 Ca 0.01 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.84 1ilr n GLU 52 Cb 0.40 -2.25 0.00 0.00 0.00 0.00 0.00 31.44 29.59 1ilr n GLU 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1ilr n PRO 53 N 1.48 0.00 -0.57 5.31 -0.04 -1.26 -4.80 135.00 135.12 1ilr n PRO 53 Ca 0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 1ilr n PRO 53 Cb 0.32 -0.72 0.22 0.00 -0.04 0.00 0.00 33.50 33.28 1ilr n PRO 53 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ilr n HIS 54 N -0.44 0.91 -3.07 0.54 1.44 -1.23 -5.01 115.22 108.36 1ilr n HIS 54 Ca 0.00 -1.22 -0.20 0.00 -2.01 0.00 0.00 57.72 54.29 1ilr n HIS 54 Cb 0.00 -0.38 0.01 0.00 0.12 0.00 0.00 29.99 29.74 1ilr n HIS 54 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ilr s ALA 55 N -3.03 4.16 -0.18 1.59 0.00 -0.05 -0.82 121.76 123.43 1ilr s ALA 55 Ca 0.42 -1.41 -0.33 0.00 0.00 0.00 0.00 51.96 50.63 1ilr s ALA 55 Cb 0.37 -1.84 0.14 0.00 0.00 0.00 0.00 23.12 21.79 1ilr s ALA 55 CO 0.04 -0.32 1.17 -0.48 0.00 0.00 0.00 175.76 176.17 1ilr s LEU 56 N -4.42 -0.17 -0.06 0.00 0.05 0.60 0.39 118.68 115.06 1ilr s LEU 56 Ca 0.51 0.04 -0.05 0.00 0.05 0.00 0.00 54.13 54.69 1ilr s LEU 56 Cb -0.10 1.46 -0.04 0.00 -2.05 0.00 0.00 46.19 45.46 1ilr s LEU 56 CO 0.34 -0.26 0.15 -0.36 -0.55 0.00 0.00 176.35 175.67 1ilr s PHE 57 N -2.23 3.54 -0.06 3.48 0.08 0.00 -1.01 117.98 121.80 1ilr s PHE 57 Ca 0.08 0.42 0.05 0.00 0.12 0.00 0.00 56.93 57.60 1ilr s PHE 57 Cb -0.01 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 1ilr s PHE 57 CO -0.05 0.68 -0.21 -0.51 -0.10 0.00 0.00 175.22 175.03 1ilr s LEU 58 N -1.45 1.98 0.00 -0.37 1.43 -1.26 -2.54 118.68 116.48 1ilr s LEU 58 Ca 0.21 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1ilr s LEU 58 Cb -0.12 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1ilr s LEU 58 CO 0.11 0.19 0.42 0.61 0.23 0.00 0.00 176.35 177.90 1ilr n GLY 59 N 3.13 2.10 3.21 -3.19 0.00 -0.21 -1.82 105.19 108.41 1ilr n GLY 59 Ca -0.18 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1ilr n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ilr s ILE 60 N -2.63 0.05 -1.03 -0.61 -4.36 0.36 -0.04 121.20 112.95 1ilr s ILE 60 Ca 0.19 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1ilr s ILE 60 Cb -0.01 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.50 1ilr s ILE 60 CO 0.14 -0.25 0.89 1.41 0.24 0.00 0.00 174.94 177.37 1ilr n HIS 61 N -0.19 -2.09 -2.07 1.37 8.25 -1.26 -2.25 115.22 116.98 1ilr n HIS 61 Ca -0.03 0.78 -0.11 0.00 -0.26 0.00 0.00 57.72 58.10 1ilr n HIS 61 Cb 0.64 -4.29 -0.01 0.00 1.12 0.00 0.00 29.99 27.45 1ilr n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ilr n GLY 62 N -1.48 0.12 2.05 -1.41 0.00 -1.26 -2.70 105.19 100.51 1ilr n GLY 62 Ca -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 1ilr n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ilr n GLY 63 N -1.11 0.49 0.02 -0.02 0.00 -1.05 -4.91 105.19 98.62 1ilr n GLY 63 Ca -0.13 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1ilr n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ilr n LYS 64 N -2.92 0.08 -3.73 1.61 5.02 -0.95 -0.23 118.16 117.04 1ilr n LYS 64 Ca -0.01 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.11 1ilr n LYS 64 Cb 0.05 -1.56 -0.17 0.00 -0.02 0.00 0.00 35.03 33.33 1ilr n LYS 64 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ilr s MET 65 N -3.04 0.05 0.01 1.97 -1.94 -1.02 -2.88 119.30 112.44 1ilr s MET 65 Ca 0.10 0.28 0.07 0.00 -1.71 0.00 0.00 55.69 54.44 1ilr s MET 65 Cb 0.17 -0.51 -0.03 0.00 2.01 0.00 0.00 34.83 36.47 1ilr s MET 65 CO 0.67 -0.27 -0.21 0.00 -0.01 0.00 0.00 175.02 175.19 1ilr s LEU 67 N -1.10 3.99 0.11 0.00 1.02 -0.76 -0.64 118.68 121.31 1ilr s LEU 67 Ca 0.12 1.57 -0.16 0.00 0.02 0.00 0.00 54.13 55.68 1ilr s LEU 67 Cb -0.10 -4.37 0.04 0.00 0.02 0.00 0.00 46.19 41.77 1ilr s LEU 67 CO 0.02 -0.30 0.41 -0.94 0.02 0.00 0.00 176.35 175.56 1ilr s SER 68 N -2.18 -0.25 -0.17 2.29 1.04 0.48 -4.45 113.70 110.46 1ilr s SER 68 Ca 0.59 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.73 1ilr s SER 68 Cb -0.10 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 1ilr s SER 68 CO 0.15 -0.83 -0.07 0.00 0.98 0.00 0.00 173.24 173.47 1ilr s VAL 70 N 0.74 1.86 0.44 0.00 -7.23 -0.59 -4.76 120.40 110.86 1ilr s VAL 70 Ca -0.03 -0.96 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 1ilr s VAL 70 Cb -0.15 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1ilr s VAL 70 CO 0.02 0.52 0.28 -1.59 -0.31 0.00 0.00 175.10 174.03 1ilr s LYS 71 N -0.13 2.33 -0.50 4.82 -2.85 -1.26 -0.28 119.74 121.85 1ilr s LYS 71 Ca -0.03 -1.80 0.07 0.00 -1.00 0.00 0.00 55.97 53.21 1ilr s LYS 71 Cb -0.13 -2.12 0.20 0.00 -2.06 0.00 0.00 37.83 33.72 1ilr s LYS 71 CO 0.03 -0.25 0.72 0.45 0.10 0.00 0.00 175.35 176.39 1ilr n SER 72 N -1.45 -3.09 0.00 0.03 2.88 -0.31 -4.99 113.62 106.70 1ilr n SER 72 Ca -0.00 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 1ilr n SER 72 Cb 0.64 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.64 1ilr n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ilr n GLY 73 N 2.73 1.07 1.32 0.46 0.00 -1.26 -3.23 105.19 106.29 1ilr n GLY 73 Ca 0.18 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1ilr n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ilr n ASP 74 N 7.74 3.82 -4.20 1.61 9.92 -1.26 -4.86 116.55 129.33 1ilr n ASP 74 Ca 0.00 -2.52 -0.22 0.00 -0.53 0.00 0.00 54.79 51.52 1ilr n ASP 74 Cb 0.00 -0.58 -0.14 0.00 -0.64 0.00 0.00 41.12 39.76 1ilr n ASP 74 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1ilr s GLU 75 N -2.03 1.13 0.33 -1.24 2.02 -1.20 -5.15 118.70 112.56 1ilr s GLU 75 Ca 0.34 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.53 1ilr s GLU 75 Cb 0.25 -1.20 -0.06 0.00 0.10 0.00 0.00 34.13 33.22 1ilr s GLU 75 CO 0.11 0.30 -0.03 0.95 0.02 0.00 0.00 175.26 176.61 1ilr s THR 76 N -0.86 1.75 -0.04 3.63 -4.23 -1.26 -1.16 115.64 113.47 1ilr s THR 76 Ca 0.04 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.40 1ilr s THR 76 Cb -0.08 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1ilr s THR 76 CO 0.02 -0.16 0.16 -0.60 -0.54 0.00 0.00 174.62 173.49 1ilr s ARG 77 N -3.73 0.27 -0.26 3.99 3.52 0.61 -4.97 118.95 118.38 1ilr s ARG 77 Ca 0.33 0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.87 1ilr s ARG 77 Cb 0.06 0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 1ilr s ARG 77 CO 0.15 -0.05 0.22 -1.17 -0.81 0.00 0.00 175.30 173.64 1ilr s LEU 78 N -0.30 4.07 0.17 -0.88 2.96 -1.26 -1.55 118.68 121.90 1ilr s LEU 78 Ca -0.04 0.12 0.10 0.00 -0.22 0.00 0.00 54.13 54.09 1ilr s LEU 78 Cb -0.03 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1ilr s LEU 78 CO 0.01 -0.03 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.70 1ilr s GLN 79 N 1.50 1.37 -0.31 1.98 -0.21 -0.08 -4.95 119.66 118.97 1ilr s GLN 79 Ca 0.09 -1.44 -0.02 0.00 0.02 0.00 0.00 55.36 54.01 1ilr s GLN 79 Cb -0.15 -1.57 0.05 0.00 1.00 0.00 0.00 33.01 32.34 1ilr s GLN 79 CO 0.08 0.33 0.01 -0.51 -2.12 0.00 0.00 175.29 173.09 1ilr s LEU 80 N -2.61 3.96 -0.03 2.90 1.43 -1.26 -0.39 118.68 122.67 1ilr s LEU 80 Ca 0.17 -1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1ilr s LEU 80 Cb -0.07 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1ilr s LEU 80 CO 0.08 -0.27 0.05 -1.61 0.23 0.00 0.00 176.35 174.82 1ilr s GLU 81 N 1.27 3.01 -1.29 1.70 2.02 0.18 -4.90 118.70 120.69 1ilr s GLU 81 Ca -0.05 -0.47 -0.18 0.00 0.02 0.00 0.00 54.97 54.30 1ilr s GLU 81 Cb -0.20 -2.82 0.07 0.00 0.10 0.00 0.00 34.13 31.28 1ilr s GLU 81 CO -0.01 0.67 1.73 0.00 0.02 0.00 0.00 175.26 177.67 1ilr s ALA 82 N -1.07 3.31 0.05 5.21 0.00 -1.26 -1.44 121.76 126.55 1ilr s ALA 82 Ca 0.19 -2.91 0.03 0.00 0.00 0.00 0.00 51.96 49.28 1ilr s ALA 82 Cb -0.12 -4.64 -0.03 0.00 0.00 0.00 0.00 23.12 18.33 1ilr s ALA 82 CO 0.09 -3.30 -0.11 0.14 0.00 0.00 0.00 175.76 172.58 1ilr s VAL 83 N 4.23 0.79 -0.15 0.00 -7.23 -1.14 -4.99 120.40 111.92 1ilr s VAL 83 Ca 0.54 -1.13 -0.28 0.00 -1.81 0.00 0.00 61.98 59.31 1ilr s VAL 83 Cb 0.04 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 1ilr s VAL 83 CO 0.08 -0.28 0.93 0.21 -0.31 0.00 0.00 175.10 175.73 1ilr s ASN 84 N -1.55 7.10 0.65 4.85 3.84 -1.26 -3.50 114.94 125.06 1ilr s ASN 84 Ca -0.06 1.35 0.38 0.00 0.21 0.00 0.00 52.86 54.75 1ilr s ASN 84 Cb -0.10 -2.51 2.13 0.00 -0.55 0.00 0.00 41.25 40.23 1ilr s ASN 84 CO 0.01 -0.45 2.26 -0.29 -2.79 0.00 0.00 177.10 175.84 1ilr h ILE 85 N 5.17 0.14 0.00 -5.21 2.10 -0.94 -0.59 117.51 118.18 1ilr h ILE 85 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1ilr h ILE 85 Cb 1.13 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1ilr h ILE 85 CO 0.86 0.00 -0.12 0.71 -1.08 0.00 0.00 178.15 178.52 1ilr h THR 86 N 0.00 0.00 0.00 2.19 1.35 -1.91 -3.25 112.91 111.29 1ilr h THR 86 Ca 0.01 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1ilr h THR 86 Cb 0.15 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1ilr h THR 86 CO -0.00 0.00 -0.45 0.44 -0.25 0.00 0.00 175.52 175.26 1ilr h ASP 87 N 0.00 0.00 -4.11 5.36 3.32 -1.50 -3.46 116.42 116.02 1ilr h ASP 87 Ca 0.00 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.47 1ilr h ASP 87 Cb 0.95 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.60 1ilr h ASP 87 CO 0.00 0.03 0.45 -0.76 -1.72 0.00 0.00 179.24 177.23 1ilr s LEU 88 N -5.15 3.62 -0.00 1.55 1.02 -1.21 -5.05 118.68 113.46 1ilr s LEU 88 Ca 0.05 2.30 0.00 0.00 0.02 0.00 0.00 54.13 56.51 1ilr s LEU 88 Cb 0.10 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.72 1ilr s LEU 88 CO 0.71 -1.59 -0.01 -0.55 0.02 0.00 0.00 176.35 174.92 1ilr s SER 89 N -1.77 0.16 0.37 2.29 0.15 -1.26 -5.03 113.70 108.61 1ilr s SER 89 Ca 0.75 -0.02 0.25 0.00 0.70 0.00 0.00 55.95 57.63 1ilr s SER 89 Cb -0.28 -0.02 0.58 0.00 -1.71 0.00 0.00 66.02 64.59 1ilr s SER 89 CO 0.34 0.01 1.69 1.05 1.20 0.00 0.00 173.24 177.53 1ilr h GLU 90 N 6.16 0.00 -0.90 5.44 4.11 -1.96 -3.12 114.58 124.30 1ilr h GLU 90 Ca -0.26 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.58 1ilr h GLU 90 Cb 1.20 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.15 1ilr h GLU 90 CO 0.51 0.00 0.47 0.09 0.07 0.00 0.00 179.01 180.15 1ilr n ASN 91 N -2.82 6.18 -3.65 3.06 4.13 -1.26 -4.86 115.26 116.04 1ilr n ASN 91 Ca 0.04 -3.76 -0.25 0.00 1.68 0.00 0.00 54.58 52.29 1ilr n ASN 91 Cb 0.47 -0.82 -0.17 0.00 -1.54 0.00 0.00 39.78 37.72 1ilr n ASN 91 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1ilr s ARG 92 N -3.66 0.18 0.12 3.52 3.52 -1.18 -5.06 118.95 116.39 1ilr s ARG 92 Ca 0.60 -0.06 -0.24 0.00 -0.13 0.00 0.00 55.73 55.89 1ilr s ARG 92 Cb 0.48 -1.63 -0.05 0.00 -1.56 0.00 0.00 34.95 32.18 1ilr s ARG 92 CO 0.02 -0.59 1.22 1.17 -0.81 0.00 0.00 175.30 176.30 1ilr n LYS 93 N 5.23 -0.34 0.29 5.12 4.81 -1.26 -1.29 118.16 130.71 1ilr n LYS 93 Ca -0.07 1.20 0.15 0.00 -0.87 0.00 0.00 58.31 58.72 1ilr n LYS 93 Cb 0.49 -1.76 0.85 0.00 0.02 0.00 0.00 35.03 34.63 1ilr n LYS 93 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1ilr h GLN 94 N 0.00 0.00 -0.00 1.64 3.07 -1.97 -2.80 115.11 115.05 1ilr h GLN 94 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1ilr h GLN 94 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1ilr h GLN 94 CO -0.73 0.06 -0.05 -0.25 0.09 0.00 0.00 178.83 177.95 1ilr n ASP 95 N -3.54 0.15 0.22 0.06 8.00 -0.41 -3.89 116.55 117.13 1ilr n ASP 95 Ca -0.02 -0.20 0.14 0.00 0.71 0.00 0.00 54.79 55.42 1ilr n ASP 95 Cb 0.18 -0.23 0.77 0.00 -0.02 0.00 0.00 41.12 41.82 1ilr n ASP 95 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ilr h LYS 96 N 0.16 0.00 0.00 -1.24 3.64 -1.53 -1.58 116.57 116.02 1ilr h LYS 96 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ilr h LYS 96 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1ilr h LYS 96 CO 0.00 0.00 0.00 0.07 -2.27 0.00 0.00 179.45 177.25 1ilr h ARG 97 N 0.00 0.00 0.00 1.90 0.11 -1.83 -0.94 114.38 113.62 1ilr h ARG 97 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1ilr h ARG 97 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1ilr h ARG 97 CO -0.00 0.00 -1.03 1.19 0.10 0.00 0.00 179.97 180.23 1ilr n PHE 98 N -2.43 0.16 -2.48 4.08 3.72 -0.59 -1.08 117.46 118.84 1ilr n PHE 98 Ca -0.01 0.05 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 1ilr n PHE 98 Cb 0.09 -0.33 -0.04 0.00 -0.94 0.00 0.00 39.48 38.27 1ilr n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ilr s ALA 99 N -3.15 3.40 0.03 4.37 0.00 -0.36 -4.29 121.76 121.75 1ilr s ALA 99 Ca 0.05 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.91 1ilr s ALA 99 Cb 0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1ilr s ALA 99 CO 0.81 -0.20 -0.13 -0.06 0.00 0.00 0.00 175.76 176.18 1ilr s PHE 100 N -0.62 1.12 -0.20 0.00 0.08 -0.18 -1.65 117.98 116.54 1ilr s PHE 100 Ca 0.48 -0.33 -0.06 0.00 0.12 0.00 0.00 56.93 57.13 1ilr s PHE 100 Cb -0.31 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 1ilr s PHE 100 CO 0.38 0.02 0.03 0.42 -0.10 0.00 0.00 175.22 175.97 1ilr s ILE 101 N -0.77 4.35 0.03 0.64 1.01 0.18 -0.29 121.20 126.34 1ilr s ILE 101 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1ilr s ILE 101 Cb -0.07 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 1ilr s ILE 101 CO 0.01 0.43 0.36 -0.60 0.00 0.00 0.00 174.94 175.13 1ilr s ARG 102 N 0.81 3.73 -0.01 2.79 3.52 0.00 -0.23 118.95 129.57 1ilr s ARG 102 Ca 0.02 0.15 -0.02 0.00 -0.13 0.00 0.00 55.73 55.75 1ilr s ARG 102 Cb -0.14 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1ilr s ARG 102 CO 0.02 0.62 0.05 -1.54 -0.81 0.00 0.00 175.30 173.65 1ilr s SER 103 N -1.54 0.04 0.03 -2.12 1.04 -0.34 -4.91 113.70 105.90 1ilr s SER 103 Ca 0.28 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.68 1ilr s SER 103 Cb -0.14 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 1ilr s SER 103 CO 0.16 -0.16 -0.22 -1.81 0.98 0.00 0.00 173.24 172.18 1ilr s ASP 104 N -0.65 2.62 -0.26 7.02 1.11 -1.26 0.01 116.67 125.26 1ilr s ASP 104 Ca -0.07 -0.52 -0.03 0.00 0.18 0.00 0.00 52.55 52.11 1ilr s ASP 104 Cb -0.04 -0.23 0.09 0.00 1.07 0.00 0.00 42.92 43.80 1ilr s ASP 104 CO 0.00 0.20 0.10 -0.55 1.18 0.00 0.00 175.17 176.10 1ilr s SER 105 N -1.09 3.37 1.58 0.27 0.15 0.02 -4.98 113.70 113.03 1ilr s SER 105 Ca 0.08 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.54 1ilr s SER 105 Cb -0.09 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1ilr s SER 105 CO 0.01 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1ilr n GLY 106 N 5.14 2.26 0.19 9.45 0.00 -1.26 -1.54 105.19 119.43 1ilr n GLY 106 Ca -0.06 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.76 1ilr n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ilr n PRO 107 N 13.16 0.96 -3.14 1.61 -0.04 -1.26 -4.91 135.00 141.38 1ilr n PRO 107 Ca 0.00 -0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 62.90 1ilr n PRO 107 Cb 0.00 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1ilr n PRO 107 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ilr s THR 108 N -2.30 3.34 0.02 0.52 -4.23 -0.59 -4.71 115.64 107.69 1ilr s THR 108 Ca 0.33 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1ilr s THR 108 Cb 0.20 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 1ilr s THR 108 CO 0.43 -0.05 -0.03 -0.89 -0.54 0.00 0.00 174.62 173.54 1ilr s THR 109 N -2.31 0.13 0.08 3.99 2.01 0.22 -0.80 115.64 118.97 1ilr s THR 109 Ca 0.52 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1ilr s THR 109 Cb -0.10 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1ilr s THR 109 CO 0.33 -0.34 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.36 1ilr s SER 110 N -1.06 1.43 -0.15 3.53 0.01 0.10 -0.50 113.70 117.06 1ilr s SER 110 Ca -0.11 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1ilr s SER 110 Cb -0.07 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.18 1ilr s SER 110 CO -0.01 -0.19 -0.10 -0.36 0.41 0.00 0.00 173.24 172.99 1ilr s PHE 111 N -1.85 1.93 -0.10 2.43 0.08 -1.26 -1.20 117.98 118.01 1ilr s PHE 111 Ca 0.00 -1.10 -0.01 0.00 0.12 0.00 0.00 56.93 55.93 1ilr s PHE 111 Cb -0.07 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1ilr s PHE 111 CO 0.01 -0.63 -0.03 -2.00 -0.10 0.00 0.00 175.22 172.48 1ilr s GLU 112 N 1.56 3.08 0.07 0.44 2.12 0.68 -0.82 118.70 125.84 1ilr s GLU 112 Ca 0.04 -0.48 -0.31 0.00 0.36 0.00 0.00 54.97 54.58 1ilr s GLU 112 Cb -0.13 -2.76 -0.07 0.00 0.26 0.00 0.00 34.13 31.42 1ilr s GLU 112 CO -0.09 0.58 1.47 0.45 -0.54 0.00 0.00 175.26 177.12 1ilr s SER 113 N -0.55 6.76 0.10 -1.70 0.15 0.32 0.50 113.70 119.27 1ilr s SER 113 Ca 0.09 2.32 -0.09 0.00 0.70 0.00 0.00 55.95 58.97 1ilr s SER 113 Cb -0.12 -2.57 -0.18 0.00 -1.71 0.00 0.00 66.02 61.43 1ilr s SER 113 CO 0.02 -0.74 1.22 0.00 1.20 0.00 0.00 173.24 174.94 1ilr h ALA 114 N 7.47 0.21 0.00 5.45 0.00 -1.59 -2.70 119.26 128.10 1ilr h ALA 114 Ca -0.41 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 53.71 1ilr h ALA 114 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1ilr h ALA 114 CO 0.90 0.76 -0.30 0.00 0.00 0.00 0.00 179.25 180.61 1ilr h ALA 115 N 0.54 0.96 -2.08 0.00 0.00 -1.75 -3.32 119.26 113.61 1ilr h ALA 115 Ca -0.12 -0.27 -0.58 0.00 0.00 0.00 0.00 54.91 53.94 1ilr h ALA 115 Cb 1.70 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.04 1ilr h ALA 115 CO 0.19 0.38 -0.89 0.00 0.00 0.00 0.00 179.25 178.93 1ilr n PRO 117 N 1.14 1.39 -0.08 0.00 -0.04 -1.02 -1.71 135.00 134.68 1ilr n PRO 117 Ca 0.25 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1ilr n PRO 117 Cb 0.48 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1ilr n PRO 117 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ilr n GLY 118 N 2.41 0.50 3.35 0.55 0.00 -1.26 -5.03 105.19 105.70 1ilr n GLY 118 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1ilr n GLY 118 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ilr s TRP 119 N -2.18 3.02 -0.03 1.61 0.52 -0.69 -3.90 118.94 117.30 1ilr s TRP 119 Ca 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 56.10 55.27 1ilr s TRP 119 Cb 0.00 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1ilr s TRP 119 CO 0.00 -0.51 0.09 -0.06 0.02 0.00 0.00 176.95 176.49 1ilr s PHE 120 N 1.51 3.34 0.32 -1.98 0.40 0.58 -0.52 117.98 121.62 1ilr s PHE 120 Ca 0.05 0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 56.35 1ilr s PHE 120 Cb -0.15 -1.78 -0.11 0.00 0.51 0.00 0.00 43.02 41.49 1ilr s PHE 120 CO -0.01 0.57 1.51 -1.17 0.70 0.00 0.00 175.22 176.82 1ilr s LEU 121 N -1.55 4.35 0.22 -0.37 2.96 -0.00 -0.67 118.68 123.61 1ilr s LEU 121 Ca 0.21 2.92 -0.18 0.00 -0.22 0.00 0.00 54.13 56.86 1ilr s LEU 121 Cb -0.12 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 42.95 1ilr s LEU 121 CO 0.12 -0.83 0.56 0.00 -1.32 0.00 0.00 176.35 174.88 1ilr s THR 123 N -3.90 2.06 0.55 0.00 -4.23 0.30 -1.07 115.64 109.35 1ilr s THR 123 Ca 0.11 -2.25 -0.15 0.00 -1.18 0.00 0.00 61.69 58.22 1ilr s THR 123 Cb -0.02 -2.13 -0.07 0.00 1.34 0.00 0.00 72.50 71.63 1ilr s THR 123 CO 0.01 -0.47 1.00 0.00 -0.54 0.00 0.00 174.62 174.61 1ilr s ALA 124 N -2.65 3.07 0.37 3.99 0.00 -1.26 0.46 121.76 125.74 1ilr s ALA 124 Ca 0.25 0.10 0.12 0.00 0.00 0.00 0.00 51.96 52.43 1ilr s ALA 124 Cb -0.03 -3.11 0.73 0.00 0.00 0.00 0.00 23.12 20.71 1ilr s ALA 124 CO 0.10 -0.38 1.84 1.98 0.00 0.00 0.00 175.76 179.30 1ilr h MET 125 N 0.54 0.04 -6.37 0.00 4.05 -1.95 -3.44 114.93 107.79 1ilr h MET 125 Ca -0.46 -0.01 -0.46 0.00 -0.28 0.00 0.00 59.70 58.49 1ilr h MET 125 Cb 1.19 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1ilr h MET 125 CO 0.62 0.37 -0.30 -1.83 0.23 0.00 0.00 176.91 176.00 1ilr s GLU 126 N -4.27 3.39 0.52 0.39 -1.05 -1.26 -5.09 118.70 111.33 1ilr s GLU 126 Ca -0.03 -0.61 -0.15 0.00 -0.15 0.00 0.00 54.97 54.03 1ilr s GLU 126 Cb 0.15 -2.77 -0.07 0.00 -0.44 0.00 0.00 34.13 31.00 1ilr s GLU 126 CO 0.73 0.22 0.97 0.00 0.95 0.00 0.00 175.26 178.13 1ilr s ALA 127 N -2.18 3.10 -1.04 -0.84 0.00 -1.26 -4.32 121.76 115.22 1ilr s ALA 127 Ca 0.39 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1ilr s ALA 127 Cb -0.09 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1ilr s ALA 127 CO 0.33 -0.29 0.00 -0.25 0.00 0.00 0.00 175.76 175.55 1ilr n ASP 128 N -1.74 -3.94 -4.90 0.00 9.92 0.38 -5.00 116.55 111.27 1ilr n ASP 128 Ca 0.06 0.14 -0.21 0.00 -0.53 0.00 0.00 54.79 54.25 1ilr n ASP 128 Cb 0.54 -2.76 -0.03 0.00 -0.64 0.00 0.00 41.12 38.23 1ilr n ASP 128 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1ilr s GLN 129 N -3.67 3.06 0.46 -1.24 -1.52 -1.25 -4.82 119.66 110.68 1ilr s GLN 129 Ca 0.00 -1.02 -0.22 0.00 -1.95 0.00 0.00 55.36 52.17 1ilr s GLN 129 Cb 0.00 -2.69 -0.07 0.00 -0.22 0.00 0.00 33.01 30.03 1ilr s GLN 129 CO 0.00 0.27 1.13 -2.14 -0.25 0.00 0.00 175.29 174.31 1ilr s PRO 130 N -3.98 3.76 0.42 2.91 0.02 -1.26 -1.95 135.00 134.92 1ilr s PRO 130 Ca 0.37 1.68 -0.25 0.00 0.02 0.00 0.00 61.00 62.83 1ilr s PRO 130 Cb -0.08 -2.34 -0.08 0.00 0.02 0.00 0.00 34.50 32.01 1ilr s PRO 130 CO 0.28 -0.52 1.20 0.08 -0.33 0.00 0.00 177.00 177.71 1ilr s VAL 131 N -1.63 2.98 0.00 3.83 1.01 -0.20 -4.63 120.40 121.76 1ilr s VAL 131 Ca 0.64 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1ilr s VAL 131 Cb -0.26 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1ilr s VAL 131 CO 0.31 0.06 0.00 -0.24 0.00 0.00 0.00 175.10 175.23 1ilr n SER 132 N -0.10 0.00 -4.16 3.32 2.88 -0.23 -4.91 113.62 110.41 1ilr n SER 132 Ca 0.05 -0.21 -0.22 0.00 -1.33 0.00 0.00 58.87 57.16 1ilr n SER 132 Cb 0.46 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.78 1ilr n SER 132 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ilr s LEU 133 N 0.00 2.14 0.00 2.46 1.43 -1.26 -0.28 118.68 123.18 1ilr s LEU 133 Ca 0.00 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1ilr s LEU 133 Cb 0.00 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 1ilr s LEU 133 CO 0.00 0.09 -0.08 0.28 0.23 0.00 0.00 176.35 176.86 1ilr s THR 134 N -0.75 0.65 -0.75 5.49 -1.32 0.15 -4.87 115.64 114.25 1ilr s THR 134 Ca 0.04 -0.47 0.24 0.00 -1.21 0.00 0.00 61.69 60.29 1ilr s THR 134 Cb -0.08 -0.57 0.01 0.00 -1.51 0.00 0.00 72.50 70.35 1ilr s THR 134 CO 0.01 0.10 1.30 -0.46 -2.21 0.00 0.00 174.62 173.36 1ilr n ASN 135 N 2.66 0.62 -3.80 8.08 6.94 -1.25 -0.31 115.26 128.19 1ilr n ASN 135 Ca -0.15 -0.05 -0.29 0.00 -0.02 0.00 0.00 54.58 54.08 1ilr n ASN 135 Cb 0.57 0.30 -0.12 0.00 -2.36 0.00 0.00 39.78 38.17 1ilr n ASN 135 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ilr s MET 136 N -3.12 1.90 0.33 -3.83 0.23 -1.26 -4.83 119.30 108.72 1ilr s MET 136 Ca 0.07 -2.74 0.26 0.00 -1.03 0.00 0.00 55.69 52.25 1ilr s MET 136 Cb 0.15 -2.90 0.82 0.00 -1.53 0.00 0.00 34.83 31.37 1ilr s MET 136 CO 0.73 -1.24 1.75 -1.00 -2.03 0.00 0.00 175.02 173.24 1ilr h PRO 137 N 5.95 0.00 0.01 3.16 0.13 -1.90 -3.34 132.00 136.01 1ilr h PRO 137 Ca 0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ilr h PRO 137 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ilr h PRO 137 CO 0.62 0.00 -0.00 -0.44 -0.23 0.00 0.00 178.00 177.94 1ilr h ASP 138 N 0.00 -0.01 -0.68 1.44 3.32 -1.95 -3.39 116.42 115.15 1ilr h ASP 138 Ca 0.00 -0.79 -0.55 0.00 0.02 0.00 0.00 57.03 55.71 1ilr h ASP 138 Cb 0.69 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 1ilr h ASP 138 CO 0.00 0.85 1.79 -0.62 -1.72 0.00 0.00 179.24 179.55 1ilr n GLU 139 N -4.67 2.55 -0.91 3.56 -0.58 -1.25 -4.87 120.64 114.47 1ilr n GLU 139 Ca -0.09 -2.94 0.00 0.00 -0.42 0.00 0.00 57.16 53.72 1ilr n GLU 139 Cb 0.39 -3.58 0.00 0.00 -0.57 0.00 0.00 31.44 27.68 1ilr n GLU 139 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ilr n GLY 140 N 5.51 0.00 0.43 0.62 0.00 -1.26 -4.58 105.19 105.91 1ilr n GLY 140 Ca 0.47 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.33 1ilr n GLY 140 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ilr n VAL 141 N 3.79 0.91 -4.00 1.61 0.31 -1.26 -4.99 118.33 114.71 1ilr n VAL 141 Ca 0.00 -0.25 -0.28 0.00 -0.01 0.00 0.00 64.34 63.80 1ilr n VAL 141 Cb 0.38 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 1ilr n VAL 141 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1ilr s MET 142 N -2.31 3.17 -0.12 5.55 -1.94 -1.26 -4.22 119.30 118.17 1ilr s MET 142 Ca -0.23 -0.65 -0.20 0.00 -1.71 0.00 0.00 55.69 52.91 1ilr s MET 142 Cb 0.08 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 1ilr s MET 142 CO 0.30 0.54 0.54 0.08 -0.01 0.00 0.00 175.02 176.48 1ilr s VAL 143 N -1.60 5.14 0.00 -6.03 1.01 0.17 -4.90 120.40 114.19 1ilr s VAL 143 Ca 0.32 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1ilr s VAL 143 Cb -0.12 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1ilr s VAL 143 CO 0.26 0.28 0.55 0.35 0.00 0.00 0.00 175.10 176.53 1ilr n THR 144 N 3.87 0.14 -3.96 3.92 -2.24 -1.26 -0.54 114.28 114.21 1ilr n THR 144 Ca -0.05 -0.54 -0.35 0.00 -2.27 0.00 0.00 64.05 60.84 1ilr n THR 144 Cb 0.51 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 1ilr n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ilr s LYS 145 N -0.14 3.99 0.14 -0.78 -0.14 -1.26 -4.42 119.74 117.13 1ilr s LYS 145 Ca 0.00 -0.33 0.06 0.00 -1.36 0.00 0.00 55.97 54.33 1ilr s LYS 145 Cb 0.00 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.86 1ilr s LYS 145 CO 0.00 0.25 -0.13 -0.06 -0.76 0.00 0.00 175.35 174.65 1ilr s PHE 146 N 0.44 1.40 -0.23 3.18 0.40 0.34 -2.30 117.98 121.21 1ilr s PHE 146 Ca 0.04 -0.60 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 1ilr s PHE 146 Cb -0.12 -0.72 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 1ilr s PHE 146 CO 0.00 0.15 0.14 0.71 0.70 0.00 0.00 175.22 176.92 1ilr s TYR 147 N -2.49 3.29 -0.33 0.36 2.02 0.24 0.73 117.35 121.17 1ilr s TYR 147 Ca 0.12 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 57.01 1ilr s TYR 147 Cb -0.03 -2.23 0.10 0.00 -0.40 0.00 0.00 41.96 39.40 1ilr s TYR 147 CO 0.03 0.06 0.05 0.12 -1.57 0.00 0.00 175.55 174.23 1ilr s PHE 148 N 0.97 3.31 -0.27 2.71 5.36 -1.26 -2.52 117.98 126.28 1ilr s PHE 148 Ca 0.07 -2.70 -0.12 0.00 -0.96 0.00 0.00 56.93 53.22 1ilr s PHE 148 Cb -0.13 -2.61 -0.05 0.00 -0.34 0.00 0.00 43.02 39.89 1ilr s PHE 148 CO 0.04 -0.93 0.24 -1.14 -1.46 0.00 0.00 175.22 171.97 1ilr s GLN 149 N 1.06 3.98 -0.02 10.12 0.74 -0.25 -4.93 119.66 130.37 1ilr s GLN 149 Ca 0.09 -0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 1ilr s GLN 149 Cb -0.19 -3.65 -0.06 0.00 1.10 0.00 0.00 33.01 30.22 1ilr s GLN 149 CO -0.11 -0.19 1.54 -2.00 -0.55 0.00 0.00 175.29 173.98 1ilr s GLU 150 N 1.78 4.22 -0.61 1.67 2.12 -1.26 -0.46 118.70 126.16 1ilr s GLU 150 Ca 0.10 2.11 -0.28 0.00 0.36 0.00 0.00 54.97 57.26 1ilr s GLU 150 Cb -0.16 -3.74 0.02 0.00 0.26 0.00 0.00 34.13 30.51 1ilr s GLU 150 CO 0.10 -0.72 1.29 -0.51 -0.54 0.00 0.00 175.26 174.88 1ilr s ASP 151 N 2.54 6.26 0.00 -1.70 1.11 0.17 -4.91 116.67 120.15 1ilr s ASP 151 Ca 0.69 0.03 0.13 0.00 0.18 0.00 0.00 52.55 53.58 1ilr s ASP 151 Cb -0.33 -2.55 0.10 0.00 1.07 0.00 0.00 42.92 41.21 1ilr s ASP 151 CO 0.28 -1.65 0.92 -1.84 1.18 0.00 0.00 175.17 174.06