#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilr s LYS 9 N 0.00 0.90 -0.10 -1.46 2.20 -1.26 -4.88 119.74 115.14 1ilr s LYS 9 Ca 0.00 -1.38 -0.29 0.00 -0.36 0.00 0.00 55.97 53.94 1ilr s LYS 9 Cb 0.00 -0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.02 1ilr s LYS 9 CO 0.00 -0.03 1.65 1.41 -0.36 0.00 0.00 175.35 178.02 1ilr s MET 10 N -3.84 4.07 0.19 4.03 -2.45 -1.26 -4.27 119.30 115.77 1ilr s MET 10 Ca 0.14 2.06 0.09 0.00 -1.25 0.00 0.00 55.69 56.73 1ilr s MET 10 Cb 0.05 -4.00 -0.04 0.00 1.25 0.00 0.00 34.83 32.09 1ilr s MET 10 CO -0.03 -0.97 -0.10 -0.65 1.05 0.00 0.00 175.02 174.32 1ilr s GLN 11 N 4.22 2.03 -0.12 4.11 -0.21 0.10 -4.90 119.66 124.88 1ilr s GLN 11 Ca 0.73 -1.30 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 1ilr s GLN 11 Cb -0.31 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 1ilr s GLN 11 CO 0.29 0.43 -0.04 0.00 -2.12 0.00 0.00 175.29 173.85 1ilr s ALA 12 N -1.74 3.03 0.09 6.09 0.00 -1.26 0.05 121.76 128.01 1ilr s ALA 12 Ca 0.25 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1ilr s ALA 12 Cb -0.09 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1ilr s ALA 12 CO 0.15 0.37 -0.14 -0.06 0.00 0.00 0.00 175.76 176.07 1ilr s PHE 13 N -0.14 1.28 -0.05 0.00 0.40 0.10 -1.75 117.98 117.82 1ilr s PHE 13 Ca 0.03 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1ilr s PHE 13 Cb -0.13 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1ilr s PHE 13 CO 0.03 0.08 0.01 1.03 0.70 0.00 0.00 175.22 177.07 1ilr s ARG 14 N -2.00 2.93 0.01 0.44 0.52 0.68 -0.30 118.95 121.23 1ilr s ARG 14 Ca 0.01 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1ilr s ARG 14 Cb -0.09 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 1ilr s ARG 14 CO 0.02 0.68 -0.06 -1.50 0.02 0.00 0.00 175.30 174.46 1ilr s ILE 15 N -0.97 0.44 -0.09 1.52 2.07 -1.26 -1.40 121.20 121.50 1ilr s ILE 15 Ca 0.16 -0.45 -0.18 0.00 -1.41 0.00 0.00 60.65 58.78 1ilr s ILE 15 Cb -0.11 -0.41 0.04 0.00 0.13 0.00 0.00 42.46 42.10 1ilr s ILE 15 CO 0.06 -0.02 0.44 -1.66 -1.91 0.00 0.00 174.94 171.85 1ilr s TRP 16 N -0.45 -0.41 0.86 3.50 -2.14 -0.93 -4.44 118.94 114.93 1ilr s TRP 16 Ca -0.01 0.86 -0.12 0.00 2.66 0.00 0.00 56.10 59.49 1ilr s TRP 16 Cb -0.04 0.18 0.15 0.00 -3.10 0.00 0.00 33.47 30.66 1ilr s TRP 16 CO -0.00 -0.35 1.20 0.16 -2.66 0.00 0.00 176.95 175.30 1ilr s ASP 17 N -0.55 3.81 0.37 -2.66 1.47 -0.69 -0.19 116.67 118.22 1ilr s ASP 17 Ca -0.07 0.29 0.21 0.00 1.18 0.00 0.00 52.55 54.17 1ilr s ASP 17 Cb -0.03 -0.55 1.16 0.00 -0.34 0.00 0.00 42.92 43.16 1ilr s ASP 17 CO 0.03 -2.28 1.63 -0.37 0.68 0.00 0.00 175.17 174.86 1ilr h VAL 18 N -1.21 0.00 -0.60 2.11 -1.51 -1.89 0.26 116.25 113.41 1ilr h VAL 18 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1ilr h VAL 18 Cb 1.27 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1ilr h VAL 18 CO 0.47 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.40 1ilr n ASN 19 N -2.29 4.11 -0.05 4.19 3.02 -1.26 -4.96 115.26 118.02 1ilr n ASN 19 Ca -0.01 -2.25 -0.01 0.00 -0.03 0.00 0.00 54.58 52.28 1ilr n ASN 19 Cb 0.14 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 1.09 -0.51 -2.49 3.52 1.13 0.93 -5.02 117.38 116.02 1ilr n GLN 20 Ca 0.23 0.19 -0.37 0.00 -1.94 0.00 0.00 57.00 55.11 1ilr n GLN 20 Cb 0.72 -3.62 -0.04 0.00 0.11 0.00 0.00 30.24 27.41 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 -0.74 4.23 0.29 -1.09 1.02 -1.26 -4.75 119.74 117.44 1ilr s LYS 21 Ca 0.00 1.61 0.09 0.00 0.02 0.00 0.00 55.97 57.69 1ilr s LYS 21 Cb 0.00 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1ilr s LYS 21 CO 0.00 -0.11 0.08 0.95 -0.92 0.00 0.00 175.35 175.35 1ilr s THR 22 N -1.53 3.43 0.07 2.17 -4.23 0.43 -1.71 115.64 114.27 1ilr s THR 22 Ca 0.55 -1.76 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 1ilr s THR 22 Cb -0.25 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.55 1ilr s THR 22 CO 0.32 -0.30 0.52 -0.36 -0.54 0.00 0.00 174.62 174.26 1ilr s PHE 23 N -2.34 3.75 0.01 3.99 0.40 -1.26 -0.78 117.98 121.75 1ilr s PHE 23 Ca 0.34 1.16 -0.27 0.00 -0.60 0.00 0.00 56.93 57.55 1ilr s PHE 23 Cb -0.05 -2.42 0.07 0.00 0.51 0.00 0.00 43.02 41.13 1ilr s PHE 23 CO 0.22 0.57 0.63 1.52 0.70 0.00 0.00 175.22 178.85 1ilr s TYR 24 N -1.18 -0.58 0.18 0.36 1.13 -0.28 -1.63 117.35 115.34 1ilr s TYR 24 Ca 0.30 0.84 -0.18 0.00 -1.41 0.00 0.00 57.07 56.61 1ilr s TYR 24 Cb -0.18 0.42 -0.08 0.00 -1.10 0.00 0.00 41.96 41.02 1ilr s TYR 24 CO 0.18 -0.65 0.66 -0.51 -2.51 0.00 0.00 175.55 172.71 1ilr s LEU 25 N -1.62 4.38 -0.17 -3.49 1.43 -1.26 -0.50 118.68 117.45 1ilr s LEU 25 Ca -0.08 1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 54.29 1ilr s LEU 25 Cb -0.01 -3.38 0.08 0.00 0.03 0.00 0.00 46.19 42.91 1ilr s LEU 25 CO 0.03 0.10 0.26 -0.60 0.23 0.00 0.00 176.35 176.37 1ilr s ARG 26 N -1.81 0.18 -1.35 1.70 3.52 0.73 -4.86 118.95 117.07 1ilr s ARG 26 Ca 0.39 0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 56.47 1ilr s ARG 26 Cb -0.17 -0.53 0.02 0.00 -1.56 0.00 0.00 34.95 32.71 1ilr s ARG 26 CO 0.20 -0.46 0.79 0.09 -0.81 0.00 0.00 175.30 175.11 1ilr n ASN 27 N 5.34 -2.17 -2.18 -2.12 5.03 -1.26 -0.85 115.26 117.06 1ilr n ASN 27 Ca -0.06 -0.79 -0.15 0.00 0.87 0.00 0.00 54.58 54.46 1ilr n ASN 27 Cb 0.50 -4.12 -0.02 0.00 -1.02 0.00 0.00 39.78 35.12 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 -3.01 -4.27 -4.38 6.41 4.13 -1.26 -4.97 115.26 107.90 1ilr n ASN 28 Ca -0.22 0.20 -0.31 0.00 1.68 0.00 0.00 54.58 55.93 1ilr n ASN 28 Cb 0.64 -3.68 -0.14 0.00 -1.54 0.00 0.00 39.78 35.06 1ilr n ASN 28 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1ilr s GLN 29 N -4.58 2.00 -0.13 3.52 -1.52 -0.03 -4.98 119.66 113.93 1ilr s GLN 29 Ca 0.00 -1.00 -0.22 0.00 -1.95 0.00 0.00 55.36 52.19 1ilr s GLN 29 Cb 0.00 -2.08 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 1ilr s GLN 29 CO 0.00 0.54 0.66 -1.17 -0.25 0.00 0.00 175.29 175.06 1ilr s LEU 30 N -1.12 4.23 0.13 2.90 2.96 -1.26 -0.19 118.68 126.33 1ilr s LEU 30 Ca 0.12 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 55.09 1ilr s LEU 30 Cb -0.10 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1ilr s LEU 30 CO 0.02 -0.19 -0.13 0.68 -1.32 0.00 0.00 176.35 175.41 1ilr s VAL 31 N 1.34 1.32 -0.13 1.68 -7.23 0.35 -0.83 120.40 116.90 1ilr s VAL 31 Ca 0.33 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1ilr s VAL 31 Cb -0.16 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1ilr s VAL 31 CO 0.13 -0.49 -0.01 0.00 -0.31 0.00 0.00 175.10 174.42 1ilr s ALA 32 N -2.42 3.18 0.15 1.32 0.00 -0.85 -1.13 121.76 122.01 1ilr s ALA 32 Ca 0.11 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1ilr s ALA 32 Cb -0.03 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1ilr s ALA 32 CO 0.03 0.37 0.58 0.41 0.00 0.00 0.00 175.76 177.14 1ilr n GLY 33 N 2.95 1.02 3.45 0.00 0.00 0.04 -1.11 105.19 111.54 1ilr n GLY 33 Ca -0.18 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.01 3.17 -0.18 1.61 2.02 -1.26 -0.43 117.35 118.28 1ilr s TYR 34 Ca 0.13 -0.50 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 1ilr s TYR 34 Cb -0.02 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 1ilr s TYR 34 CO 0.04 -0.42 0.13 -0.51 -1.57 0.00 0.00 175.55 173.22 1ilr s LEU 35 N 1.63 4.22 -0.00 -1.29 1.43 -1.26 -5.05 118.68 118.35 1ilr s LEU 35 Ca 0.05 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1ilr s LEU 35 Cb -0.17 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1ilr s LEU 35 CO 0.06 0.24 -0.03 -1.10 0.23 0.00 0.00 176.35 175.75 1ilr s GLN 36 N -0.00 0.26 6.61 1.70 -0.21 -1.26 -4.69 119.66 122.06 1ilr s GLN 36 Ca 0.09 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.34 1ilr s GLN 36 Cb -0.11 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.66 1ilr s GLN 36 CO -0.00 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.64 1ilr n GLY 37 N 2.93 2.14 0.37 3.09 0.00 -1.26 -3.16 105.19 109.31 1ilr n GLY 37 Ca -0.13 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1ilr n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ilr h PRO 38 N 0.00 0.52 0.00 1.61 0.13 -2.04 -0.09 132.00 132.12 1ilr h PRO 38 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1ilr h PRO 38 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 1ilr h PRO 38 CO 0.00 0.34 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 1ilr n ASN 39 N -4.50 0.00 0.23 1.44 4.13 -1.19 -2.92 115.26 112.45 1ilr n ASN 39 Ca 0.15 0.36 0.16 0.00 1.68 0.00 0.00 54.58 56.92 1ilr n ASN 39 Cb 0.47 -0.44 0.78 0.00 -1.54 0.00 0.00 39.78 39.05 1ilr n ASN 39 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1ilr h VAL 40 N 0.00 0.00 0.00 2.41 3.04 -1.16 -0.16 116.25 120.38 1ilr h VAL 40 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1ilr h VAL 40 Cb 0.28 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1ilr h VAL 40 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 173.36 1ilr n ASN 41 N -2.65 0.00 0.01 3.17 5.15 -1.15 -2.62 115.26 117.18 1ilr n ASN 41 Ca -0.01 0.29 0.13 0.00 -0.60 0.00 0.00 54.58 54.39 1ilr n ASN 41 Cb 0.13 -0.42 0.42 0.00 -0.53 0.00 0.00 39.78 39.39 1ilr n ASN 41 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ilr n LEU 42 N -1.42 0.31 -4.65 1.20 4.32 -0.07 -4.92 117.00 111.78 1ilr n LEU 42 Ca 0.07 0.29 -0.47 0.00 -0.02 0.00 0.00 56.01 55.88 1ilr n LEU 42 Cb 0.22 -0.36 -0.04 0.00 -1.62 0.00 0.00 43.42 41.62 1ilr n LEU 42 CO 0.19 0.03 1.10 1.21 -1.22 0.00 0.00 177.39 178.70 1ilr n GLU 43 N -1.60 1.92 -3.57 3.23 2.13 -1.08 -4.53 120.64 117.15 1ilr n GLU 43 Ca 0.06 0.69 -0.37 0.00 0.66 0.00 0.00 57.16 58.20 1ilr n GLU 43 Cb 0.35 -2.41 -0.09 0.00 0.27 0.00 0.00 31.44 29.56 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 0.57 4.10 0.40 5.31 0.41 -0.65 -5.01 118.70 123.83 1ilr s GLU 44 Ca 0.78 -0.12 -0.09 0.00 -0.41 0.00 0.00 54.97 55.13 1ilr s GLU 44 Cb -0.73 -3.55 -0.06 0.00 -1.78 0.00 0.00 34.13 28.02 1ilr s GLU 44 CO 0.42 0.01 0.75 0.21 -0.49 0.00 0.00 175.26 176.15 1ilr s LYS 45 N 1.20 3.72 -0.19 1.61 2.47 -1.26 -4.69 119.74 122.60 1ilr s LYS 45 Ca 0.11 0.37 -0.07 0.00 -1.56 0.00 0.00 55.97 54.81 1ilr s LYS 45 Cb -0.14 -2.42 -0.04 0.00 -1.46 0.00 0.00 37.83 33.77 1ilr s LYS 45 CO 0.06 -0.04 0.06 0.42 0.16 0.00 0.00 175.35 176.02 1ilr s ILE 46 N -2.40 4.78 -0.13 5.43 -1.09 0.59 -4.59 121.20 123.79 1ilr s ILE 46 Ca 0.50 -0.04 -0.15 0.00 -2.23 0.00 0.00 60.65 58.73 1ilr s ILE 46 Cb -0.10 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 1ilr s ILE 46 CO 0.33 0.45 0.36 -1.81 -1.23 0.00 0.00 174.94 173.05 1ilr s ASP 47 N 0.43 6.56 -0.07 3.58 1.01 0.99 0.00 116.67 129.16 1ilr s ASP 47 Ca 0.03 0.66 0.03 0.00 0.71 0.00 0.00 52.55 53.98 1ilr s ASP 47 Cb -0.12 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.59 1ilr s ASP 47 CO 0.00 0.10 -0.18 -0.69 0.21 0.00 0.00 175.17 174.61 1ilr s VAL 48 N 0.32 1.55 -0.25 -1.27 1.01 0.11 -0.69 120.40 121.18 1ilr s VAL 48 Ca 0.20 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1ilr s VAL 48 Cb -0.14 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.93 1ilr s VAL 48 CO 0.07 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 1ilr s VAL 49 N 0.42 2.04 0.26 2.92 1.01 -0.94 0.01 120.40 126.13 1ilr s VAL 49 Ca -0.14 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.05 1ilr s VAL 49 Cb -0.16 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 1ilr s VAL 49 CO 0.05 0.01 1.36 -2.16 0.00 0.00 0.00 175.10 174.36 1ilr s PRO 50 N 1.17 4.33 -0.30 2.72 0.04 -1.26 -0.88 135.00 140.83 1ilr s PRO 50 Ca -0.07 2.20 0.03 0.00 0.04 0.00 0.00 61.00 63.20 1ilr s PRO 50 Cb -0.19 -3.12 0.08 0.00 0.04 0.00 0.00 34.50 31.31 1ilr s PRO 50 CO -0.06 -0.29 -0.03 0.42 0.04 0.00 0.00 177.00 177.08 1ilr s ILE 51 N -0.36 2.25 0.41 0.56 1.01 -0.73 -4.40 121.20 119.93 1ilr s ILE 51 Ca 0.55 -1.95 -0.26 0.00 0.00 0.00 0.00 60.65 58.99 1ilr s ILE 51 Cb -0.40 -2.48 -0.10 0.00 0.01 0.00 0.00 42.46 39.49 1ilr s ILE 51 CO 0.45 -0.29 1.40 -0.62 0.00 0.00 0.00 174.94 175.89 1ilr n GLU 52 N 4.36 2.31 0.02 2.79 4.71 -1.26 -1.63 120.64 131.94 1ilr n GLU 52 Ca -0.06 0.82 0.07 0.00 -0.01 0.00 0.00 57.16 57.98 1ilr n GLU 52 Cb 0.42 -2.56 -0.11 0.00 -1.01 0.00 0.00 31.44 28.17 1ilr n GLU 52 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1ilr n PRO 53 N 0.12 0.64 -1.13 3.49 -0.04 -1.26 -4.79 135.00 132.03 1ilr n PRO 53 Ca 0.04 -0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1ilr n PRO 53 Cb 0.40 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.51 0.00 -4.64 0.54 1.44 -1.21 -5.10 115.22 103.75 1ilr n HIS 54 Ca -0.07 -0.34 -0.33 0.00 -2.01 0.00 0.00 57.72 54.97 1ilr n HIS 54 Cb 0.67 -0.12 -0.06 0.00 0.12 0.00 0.00 29.99 30.60 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 -0.06 4.28 -0.07 1.59 0.00 -0.64 -0.31 121.76 126.54 1ilr s ALA 55 Ca 0.22 -0.30 -0.32 0.00 0.00 0.00 0.00 51.96 51.57 1ilr s ALA 55 Cb 0.25 -0.11 0.12 0.00 0.00 0.00 0.00 23.12 23.38 1ilr s ALA 55 CO -0.11 -0.08 1.11 -0.48 0.00 0.00 0.00 175.76 176.20 1ilr s LEU 56 N -3.97 -0.19 -0.09 0.00 0.05 0.34 -1.78 118.68 113.05 1ilr s LEU 56 Ca 0.07 -0.07 -0.04 0.00 0.05 0.00 0.00 54.13 54.14 1ilr s LEU 56 Cb 0.00 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.74 1ilr s LEU 56 CO 0.04 -0.42 0.07 -0.36 -0.55 0.00 0.00 176.35 175.13 1ilr s PHE 57 N -2.70 3.37 -0.07 3.48 0.08 -0.06 -1.43 117.98 120.66 1ilr s PHE 57 Ca 0.09 0.35 0.06 0.00 0.12 0.00 0.00 56.93 57.55 1ilr s PHE 57 Cb -0.00 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1ilr s PHE 57 CO -0.05 0.60 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.91 1ilr s LEU 58 N -1.02 2.07 0.00 -0.37 1.43 -1.26 -2.21 118.68 117.31 1ilr s LEU 58 Ca 0.15 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1ilr s LEU 58 Cb -0.12 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.75 1ilr s LEU 58 CO 0.04 0.22 0.57 0.61 0.23 0.00 0.00 176.35 178.02 1ilr n GLY 59 N 3.08 1.85 3.25 -3.19 0.00 0.13 -0.93 105.19 109.37 1ilr n GLY 59 Ca -0.18 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.69 0.13 -1.39 -0.61 -4.36 0.37 -0.01 121.20 112.65 1ilr s ILE 60 Ca 0.27 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.59 1ilr s ILE 60 Cb -0.02 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.20 1ilr s ILE 60 CO 0.20 0.00 1.01 1.41 0.24 0.00 0.00 174.94 177.79 1ilr n HIS 61 N -0.38 -2.42 -2.17 1.37 8.25 -1.26 -1.52 115.22 117.09 1ilr n HIS 61 Ca 0.02 0.94 -0.07 0.00 -0.26 0.00 0.00 57.72 58.35 1ilr n HIS 61 Cb 0.65 -4.56 -0.00 0.00 1.12 0.00 0.00 29.99 27.20 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 -1.70 0.11 2.17 -1.41 0.00 -1.26 -3.02 105.19 100.08 1ilr n GLY 62 Ca -0.08 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.01 0.55 0.14 -0.02 0.00 -0.88 -4.88 105.19 99.10 1ilr n GLY 63 Ca -0.08 -0.68 0.07 0.00 0.00 0.00 0.00 46.02 45.34 1ilr n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ilr h LYS 64 N 0.00 0.00 -4.29 1.61 6.56 -1.18 0.16 116.57 119.43 1ilr h LYS 64 Ca -0.15 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.04 1ilr h LYS 64 Cb 0.74 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 32.08 1ilr h LYS 64 CO 0.20 0.16 -0.77 -1.64 -2.06 0.00 0.00 179.45 175.34 1ilr s MET 65 N -3.15 0.78 0.05 3.15 -1.94 -1.01 -3.32 119.30 113.85 1ilr s MET 65 Ca 0.02 -0.20 0.09 0.00 -1.71 0.00 0.00 55.69 53.89 1ilr s MET 65 Cb 0.08 -0.76 -0.03 0.00 2.01 0.00 0.00 34.83 36.13 1ilr s MET 65 CO 0.76 0.04 -0.25 0.00 -0.01 0.00 0.00 175.02 175.55 1ilr s LEU 67 N -1.27 4.47 0.12 0.00 1.43 -0.10 -0.99 118.68 122.34 1ilr s LEU 67 Ca 0.11 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1ilr s LEU 67 Cb -0.10 -3.84 0.01 0.00 0.03 0.00 0.00 46.19 42.29 1ilr s LEU 67 CO 0.02 0.02 0.27 -0.94 0.23 0.00 0.00 176.35 175.96 1ilr s SER 68 N -1.42 0.01 -0.21 2.29 1.04 0.18 -4.53 113.70 111.06 1ilr s SER 68 Ca 0.46 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 56.20 1ilr s SER 68 Cb -0.22 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 1ilr s SER 68 CO 0.27 -0.81 0.06 0.00 0.98 0.00 0.00 173.24 173.75 1ilr s VAL 70 N 0.98 1.31 -0.40 0.00 -7.23 0.46 -4.83 120.40 110.69 1ilr s VAL 70 Ca 0.04 -1.01 -0.07 0.00 -1.81 0.00 0.00 61.98 59.12 1ilr s VAL 70 Cb -0.14 -1.15 0.08 0.00 0.56 0.00 0.00 36.38 35.72 1ilr s VAL 70 CO 0.03 0.12 0.21 -0.54 -0.31 0.00 0.00 175.10 174.61 1ilr s LYS 71 N -1.03 2.47 -0.99 4.82 1.02 -1.26 -0.33 119.74 124.44 1ilr s LYS 71 Ca 0.04 -1.48 -0.15 0.00 0.02 0.00 0.00 55.97 54.40 1ilr s LYS 71 Cb -0.08 -3.65 0.18 0.00 -0.52 0.00 0.00 37.83 33.76 1ilr s LYS 71 CO 0.01 -0.91 1.09 0.45 -0.92 0.00 0.00 175.35 175.07 1ilr s SER 72 N 1.91 6.86 0.47 2.83 0.15 0.17 -4.90 113.70 121.18 1ilr s SER 72 Ca 0.03 -2.63 0.00 0.00 0.70 0.00 0.00 55.95 54.04 1ilr s SER 72 Cb -0.22 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1ilr s SER 72 CO 0.01 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1ilr n GLY 73 N 4.41 1.36 0.33 9.45 0.00 -1.26 -2.15 105.19 117.33 1ilr n GLY 73 Ca 0.24 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.55 1ilr n GLY 73 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ilr n ASP 74 N 7.60 1.59 -4.78 1.61 5.68 -1.26 -4.98 116.55 122.00 1ilr n ASP 74 Ca 0.00 -1.30 -0.35 0.00 -0.50 0.00 0.00 54.79 52.65 1ilr n ASP 74 Cb 0.00 0.58 -0.07 0.00 -1.14 0.00 0.00 41.12 40.49 1ilr n ASP 74 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1ilr s GLU 75 N -2.25 3.17 -0.44 0.11 2.02 -0.91 -5.07 118.70 115.33 1ilr s GLU 75 Ca 0.14 -0.34 -0.07 0.00 0.02 0.00 0.00 54.97 54.71 1ilr s GLU 75 Cb 0.15 -2.95 0.11 0.00 0.10 0.00 0.00 34.13 31.54 1ilr s GLU 75 CO 0.53 0.71 0.28 0.99 0.02 0.00 0.00 175.26 177.78 1ilr s THR 76 N -1.04 3.91 0.09 3.63 2.01 -1.26 0.42 115.64 123.39 1ilr s THR 76 Ca 0.17 -1.79 0.08 0.00 0.31 0.00 0.00 61.69 60.47 1ilr s THR 76 Cb -0.12 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1ilr s THR 76 CO 0.07 -0.68 -0.15 0.00 -0.69 0.00 0.00 174.62 173.16 1ilr s ARG 77 N 1.30 1.97 0.30 4.92 1.70 0.55 -4.82 118.95 124.87 1ilr s ARG 77 Ca 0.06 -1.08 -0.27 0.00 -0.47 0.00 0.00 55.73 53.97 1ilr s ARG 77 Cb -0.24 -2.20 -0.10 0.00 -0.57 0.00 0.00 34.95 31.84 1ilr s ARG 77 CO -0.01 0.50 0.95 -1.17 -1.08 0.00 0.00 175.30 174.49 1ilr s LEU 78 N -1.99 4.44 0.03 -1.89 2.96 -1.26 -0.40 118.68 120.56 1ilr s LEU 78 Ca 0.18 1.90 0.01 0.00 -0.22 0.00 0.00 54.13 56.00 1ilr s LEU 78 Cb -0.11 -3.88 -0.02 0.00 0.50 0.00 0.00 46.19 42.69 1ilr s LEU 78 CO 0.10 -0.01 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.49 1ilr s GLN 79 N -1.76 0.38 -0.32 1.98 0.74 0.15 -4.89 119.66 115.94 1ilr s GLN 79 Ca 0.47 -0.66 -0.04 0.00 0.05 0.00 0.00 55.36 55.18 1ilr s GLN 79 Cb -0.22 -0.02 0.05 0.00 1.10 0.00 0.00 33.01 33.92 1ilr s GLN 79 CO 0.27 -0.02 0.06 -1.17 -0.55 0.00 0.00 175.29 173.88 1ilr s LEU 80 N -1.51 4.17 0.08 3.68 2.96 -1.26 0.49 118.68 127.28 1ilr s LEU 80 Ca -0.14 -1.25 0.03 0.00 -0.22 0.00 0.00 54.13 52.55 1ilr s LEU 80 Cb -0.10 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1ilr s LEU 80 CO -0.01 -0.31 0.08 -1.61 -1.32 0.00 0.00 176.35 173.19 1ilr s GLU 81 N 1.32 2.90 -1.34 1.98 2.02 -0.16 -4.90 118.70 120.52 1ilr s GLU 81 Ca -0.03 -0.68 -0.14 0.00 0.02 0.00 0.00 54.97 54.14 1ilr s GLU 81 Cb -0.20 -2.74 0.10 0.00 0.10 0.00 0.00 34.13 31.39 1ilr s GLU 81 CO 0.01 0.57 1.90 0.00 0.02 0.00 0.00 175.26 177.76 1ilr n ALA 82 N 0.46 4.76 -2.67 5.21 0.00 -1.26 -0.96 120.51 126.05 1ilr n ALA 82 Ca -0.08 -4.04 -0.19 0.00 0.00 0.00 0.00 53.44 49.13 1ilr n ALA 82 Cb 0.52 -3.34 -0.13 0.00 0.00 0.00 0.00 19.45 16.49 1ilr n ALA 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ilr s VAL 83 N 2.51 1.04 -0.08 0.00 -7.23 -1.21 -4.99 120.40 110.43 1ilr s VAL 83 Ca 0.46 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 1ilr s VAL 83 Cb 0.08 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 1ilr s VAL 83 CO -0.01 -0.05 1.05 0.20 -0.31 0.00 0.00 175.10 175.98 1ilr s ASN 84 N -1.20 7.21 0.54 4.85 -0.87 -1.26 -3.69 114.94 120.52 1ilr s ASN 84 Ca 0.00 1.63 0.28 0.00 -1.57 0.00 0.00 52.86 53.20 1ilr s ASN 84 Cb -0.08 -2.56 1.44 0.00 -0.02 0.00 0.00 41.25 40.03 1ilr s ASN 84 CO 0.01 -0.46 1.95 -0.29 -2.57 0.00 0.00 177.10 175.75 1ilr h ILE 85 N 5.02 0.63 0.00 0.60 2.10 -1.00 -0.12 117.51 124.74 1ilr h ILE 85 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1ilr h ILE 85 Cb 1.16 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1ilr h ILE 85 CO 0.85 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 178.63 1ilr h THR 86 N 0.00 0.00 0.00 2.19 1.35 -1.91 -3.06 112.91 111.48 1ilr h THR 86 Ca 0.30 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1ilr h THR 86 Cb 1.25 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1ilr h THR 86 CO -0.00 0.00 -0.47 0.44 -0.25 0.00 0.00 175.52 175.23 1ilr h ASP 87 N 0.00 0.00 -4.20 5.36 3.32 -1.41 -3.46 116.42 116.03 1ilr h ASP 87 Ca 0.00 -0.11 -0.50 0.00 0.02 0.00 0.00 57.03 56.44 1ilr h ASP 87 Cb 0.60 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.23 1ilr h ASP 87 CO 0.00 0.06 0.38 -0.76 -1.72 0.00 0.00 179.24 177.19 1ilr s LEU 88 N -4.66 3.47 -0.05 1.55 1.43 -1.16 -5.06 118.68 114.19 1ilr s LEU 88 Ca 0.06 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 1ilr s LEU 88 Cb 0.12 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.83 1ilr s LEU 88 CO 0.70 -1.28 0.12 -0.55 0.23 0.00 0.00 176.35 175.56 1ilr s SER 89 N -2.74 -0.08 0.42 2.29 0.15 -1.26 -5.00 113.70 107.48 1ilr s SER 89 Ca 0.64 0.24 0.28 0.00 0.70 0.00 0.00 55.95 57.82 1ilr s SER 89 Cb -0.17 0.14 1.54 0.00 -1.71 0.00 0.00 66.02 65.82 1ilr s SER 89 CO 0.38 -0.13 1.87 1.05 1.20 0.00 0.00 173.24 177.61 1ilr h GLU 90 N 7.12 0.00 -0.53 5.44 4.11 -1.97 -2.23 114.58 126.52 1ilr h GLU 90 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1ilr h GLU 90 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ilr h GLU 90 CO 0.44 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.61 1ilr n ASN 91 N -2.50 3.49 -4.47 3.06 3.02 -1.26 -4.92 115.26 111.69 1ilr n ASN 91 Ca -0.02 -1.97 -0.34 0.00 -0.03 0.00 0.00 54.58 52.22 1ilr n ASN 91 Cb 0.05 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 38.75 1ilr n ASN 91 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ilr s ARG 92 N -1.09 3.64 0.31 3.52 3.52 -0.84 -5.01 118.95 123.00 1ilr s ARG 92 Ca 0.38 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.50 1ilr s ARG 92 Cb 0.21 -2.99 0.64 0.00 -1.56 0.00 0.00 34.95 31.24 1ilr s ARG 92 CO 0.27 0.12 1.87 0.87 -0.81 0.00 0.00 175.30 177.62 1ilr h LYS 93 N 7.11 0.87 0.00 5.12 1.79 -1.91 -2.35 116.57 127.20 1ilr h LYS 93 Ca -0.34 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.02 1ilr h LYS 93 Cb 1.18 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 1ilr h LYS 93 CO 0.62 0.58 -0.28 1.96 -1.08 0.00 0.00 179.45 181.25 1ilr h GLN 94 N 0.90 0.00 -0.00 3.15 7.50 -1.95 -2.99 115.11 121.72 1ilr h GLN 94 Ca 0.45 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.60 1ilr h GLN 94 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1ilr h GLN 94 CO -0.21 0.28 -0.17 -0.25 -1.50 0.00 0.00 178.83 176.97 1ilr n ASP 95 N -3.55 0.51 0.12 1.46 8.00 -0.89 -4.10 116.55 118.10 1ilr n ASP 95 Ca -0.01 -0.47 0.10 0.00 0.71 0.00 0.00 54.79 55.13 1ilr n ASP 95 Cb 0.42 -0.05 0.59 0.00 -0.02 0.00 0.00 41.12 42.07 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 0.53 0.15 0.00 -1.24 3.64 -1.55 -0.91 116.57 117.19 1ilr h LYS 96 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ilr h LYS 96 Cb 0.41 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1ilr h LYS 96 CO 0.00 0.10 0.00 0.07 -2.27 0.00 0.00 179.45 177.36 1ilr h ARG 97 N 0.16 0.00 0.00 1.90 0.11 -1.82 -0.29 114.38 114.44 1ilr h ARG 97 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1ilr h ARG 97 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1ilr h ARG 97 CO -0.02 0.00 -1.10 1.19 0.10 0.00 0.00 179.97 180.15 1ilr n PHE 98 N -2.30 0.25 -2.59 4.08 3.72 -0.35 -1.41 117.46 118.86 1ilr n PHE 98 Ca -0.02 0.07 -0.40 0.00 -0.05 0.00 0.00 57.45 57.06 1ilr n PHE 98 Cb 0.04 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.10 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 -3.21 3.38 -0.02 4.37 0.00 -0.12 -4.30 121.76 121.85 1ilr s ALA 99 Ca 0.03 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.79 1ilr s ALA 99 Cb 0.14 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1ilr s ALA 99 CO 0.81 -0.02 -0.08 -0.06 0.00 0.00 0.00 175.76 176.41 1ilr s PHE 100 N -1.09 0.86 -0.23 0.00 0.40 -0.52 -1.27 117.98 116.14 1ilr s PHE 100 Ca 0.43 -0.20 -0.18 0.00 -0.60 0.00 0.00 56.93 56.39 1ilr s PHE 100 Cb -0.29 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 1ilr s PHE 100 CO 0.37 -0.07 0.50 0.42 0.70 0.00 0.00 175.22 177.14 1ilr s ILE 101 N 0.10 5.10 -0.09 0.64 1.09 0.20 -0.50 121.20 127.74 1ilr s ILE 101 Ca -0.01 0.89 -0.19 0.00 -1.10 0.00 0.00 60.65 60.23 1ilr s ILE 101 Cb -0.07 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1ilr s ILE 101 CO 0.00 0.15 0.52 -0.60 -0.10 0.00 0.00 174.94 174.90 1ilr s ARG 102 N 1.90 4.33 -0.08 2.79 3.52 0.57 -0.85 118.95 131.12 1ilr s ARG 102 Ca 0.22 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1ilr s ARG 102 Cb -0.15 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1ilr s ARG 102 CO 0.09 0.20 -0.06 -1.54 -0.81 0.00 0.00 175.30 173.19 1ilr s SER 103 N 0.44 1.70 0.04 -2.12 1.04 -0.12 -4.81 113.70 109.86 1ilr s SER 103 Ca 0.28 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.50 1ilr s SER 103 Cb -0.16 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 1ilr s SER 103 CO 0.12 -0.10 0.18 -1.81 0.98 0.00 0.00 173.24 172.62 1ilr s ASP 104 N 1.44 6.26 -0.28 7.02 1.01 -1.26 -0.54 116.67 130.32 1ilr s ASP 104 Ca -0.02 0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.52 1ilr s ASP 104 Cb -0.13 -1.92 0.17 0.00 1.01 0.00 0.00 42.92 42.05 1ilr s ASP 104 CO -0.04 0.20 0.51 -0.55 0.21 0.00 0.00 175.17 175.50 1ilr s SER 105 N -2.29 -0.70 0.92 0.27 0.15 -0.99 -5.01 113.70 106.05 1ilr s SER 105 Ca 0.32 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1ilr s SER 105 Cb -0.13 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1ilr s SER 105 CO 0.24 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1ilr n GLY 106 N 5.40 0.97 0.68 9.45 0.00 -1.26 -3.01 105.19 117.41 1ilr n GLY 106 Ca 0.00 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 12.43 1.93 -3.77 1.61 -0.04 -1.26 -4.97 135.00 140.94 1ilr n PRO 107 Ca 0.00 -1.36 -0.23 0.00 -0.04 0.00 0.00 63.50 61.87 1ilr n PRO 107 Cb 0.00 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.99 2.37 0.01 0.52 -4.23 -1.16 -4.71 115.64 106.45 1ilr s THR 108 Ca 0.34 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1ilr s THR 108 Cb 0.21 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1ilr s THR 108 CO 0.32 0.00 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.50 1ilr s THR 109 N -2.56 0.07 0.12 3.99 2.01 0.13 -2.36 115.64 117.03 1ilr s THR 109 Ca 0.44 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 62.16 1ilr s THR 109 Cb -0.01 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 1ilr s THR 109 CO 0.25 -0.19 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.34 1ilr s SER 110 N -0.57 2.77 -0.17 3.53 0.01 0.30 -1.46 113.70 118.11 1ilr s SER 110 Ca -0.06 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1ilr s SER 110 Cb -0.04 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.06 1ilr s SER 110 CO -0.00 0.07 -0.10 -0.36 0.41 0.00 0.00 173.24 173.26 1ilr s PHE 111 N -1.30 2.06 -0.10 2.43 0.40 -1.26 -0.94 117.98 119.27 1ilr s PHE 111 Ca 0.10 -1.27 -0.02 0.00 -0.60 0.00 0.00 56.93 55.15 1ilr s PHE 111 Cb -0.09 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1ilr s PHE 111 CO 0.05 -0.67 -0.03 -2.00 0.70 0.00 0.00 175.22 173.28 1ilr s GLU 112 N 1.52 3.15 0.23 0.44 2.12 -0.03 -1.02 118.70 125.11 1ilr s GLU 112 Ca 0.02 -0.48 -0.31 0.00 0.36 0.00 0.00 54.97 54.56 1ilr s GLU 112 Cb -0.15 -2.78 -0.10 0.00 0.26 0.00 0.00 34.13 31.36 1ilr s GLU 112 CO -0.09 0.54 1.53 0.45 -0.54 0.00 0.00 175.26 177.15 1ilr s SER 113 N -0.46 6.55 0.11 -1.70 0.15 0.55 0.62 113.70 119.52 1ilr s SER 113 Ca 0.08 2.73 0.01 0.00 0.70 0.00 0.00 55.95 59.47 1ilr s SER 113 Cb -0.12 -2.62 -0.20 0.00 -1.71 0.00 0.00 66.02 61.38 1ilr s SER 113 CO 0.02 -0.80 1.24 0.00 1.20 0.00 0.00 173.24 174.90 1ilr h ALA 114 N 5.59 0.28 0.00 5.45 0.00 -1.45 -3.13 119.26 126.01 1ilr h ALA 114 Ca -0.45 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1ilr h ALA 114 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ilr h ALA 114 CO 0.83 1.06 -0.65 0.00 0.00 0.00 0.00 179.25 180.49 1ilr h ALA 115 N 0.82 0.64 -2.20 0.00 0.00 -1.76 -3.38 119.26 113.37 1ilr h ALA 115 Ca -0.07 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.26 1ilr h ALA 115 Cb 1.80 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 19.20 1ilr h ALA 115 CO 0.16 0.00 -0.98 0.00 0.00 0.00 0.00 179.25 178.44 1ilr s PRO 117 N -0.97 3.75 0.00 0.00 0.04 -1.18 -2.21 135.00 134.44 1ilr s PRO 117 Ca 0.34 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1ilr s PRO 117 Cb 0.11 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1ilr s PRO 117 CO -0.13 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1ilr n GLY 118 N 0.54 0.55 3.58 0.56 0.00 -1.26 -5.02 105.19 104.13 1ilr n GLY 118 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.20 3.21 0.05 1.61 0.52 -0.94 -4.15 118.94 117.04 1ilr s TRP 119 Ca 0.00 -0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.16 1ilr s TRP 119 Cb 0.00 -2.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.10 1ilr s TRP 119 CO 0.00 -0.03 -0.18 -0.06 0.02 0.00 0.00 176.95 176.70 1ilr s PHE 120 N 0.97 2.56 0.37 -1.98 0.40 0.33 -0.33 117.98 120.30 1ilr s PHE 120 Ca 0.05 -0.25 -0.28 0.00 -0.60 0.00 0.00 56.93 55.85 1ilr s PHE 120 Cb -0.14 -1.45 -0.10 0.00 0.51 0.00 0.00 43.02 41.84 1ilr s PHE 120 CO 0.03 0.27 1.42 -1.17 0.70 0.00 0.00 175.22 176.48 1ilr s LEU 121 N -1.54 4.32 0.21 -0.37 2.96 -0.19 -1.19 118.68 122.88 1ilr s LEU 121 Ca 0.15 2.92 -0.15 0.00 -0.22 0.00 0.00 54.13 56.83 1ilr s LEU 121 Cb -0.11 -3.70 0.01 0.00 0.50 0.00 0.00 46.19 42.89 1ilr s LEU 121 CO 0.06 -0.81 0.49 0.00 -1.32 0.00 0.00 176.35 174.77 1ilr s THR 123 N -3.93 1.20 0.47 0.00 -4.23 -0.45 -1.03 115.64 107.66 1ilr s THR 123 Ca 0.14 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1ilr s THR 123 Cb -0.01 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1ilr s THR 123 CO 0.02 -0.51 0.77 0.00 -0.54 0.00 0.00 174.62 174.35 1ilr s ALA 124 N -3.31 3.42 0.22 3.99 0.00 -1.26 -0.23 121.76 124.58 1ilr s ALA 124 Ca 0.23 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1ilr s ALA 124 Cb 0.04 -2.56 0.18 0.00 0.00 0.00 0.00 23.12 20.78 1ilr s ALA 124 CO 0.06 -0.31 1.51 0.52 0.00 0.00 0.00 175.76 177.53 1ilr h MET 125 N 0.31 0.14 -7.02 0.00 2.86 -1.96 -3.44 114.93 105.82 1ilr h MET 125 Ca -0.47 -0.12 -0.45 0.00 -2.06 0.00 0.00 59.70 56.60 1ilr h MET 125 Cb 1.20 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1ilr h MET 125 CO 0.62 0.79 0.32 -1.21 1.06 0.00 0.00 176.91 178.49 1ilr s GLU 126 N -3.50 4.24 0.66 1.72 8.01 -1.26 -5.04 118.70 123.53 1ilr s GLU 126 Ca -0.03 1.10 -0.11 0.00 0.01 0.00 0.00 54.97 55.95 1ilr s GLU 126 Cb 0.12 -2.25 -0.02 0.00 -4.31 0.00 0.00 34.13 27.67 1ilr s GLU 126 CO 0.80 0.01 1.04 0.00 0.01 0.00 0.00 175.26 177.12 1ilr s ALA 127 N -2.12 2.89 -1.69 5.21 0.00 -1.26 -4.21 121.76 120.58 1ilr s ALA 127 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1ilr s ALA 127 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1ilr s ALA 127 CO 0.14 -0.95 0.00 -0.25 0.00 0.00 0.00 175.76 174.71 1ilr n ASP 128 N -2.92 -5.04 -4.92 0.00 8.00 -0.27 -5.01 116.55 106.39 1ilr n ASP 128 Ca 0.07 0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.55 1ilr n ASP 128 Cb 0.54 -4.07 -0.04 0.00 -0.02 0.00 0.00 41.12 37.53 1ilr n ASP 128 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1ilr s GLN 129 N -3.92 3.52 0.56 -1.24 -1.52 -1.25 -4.85 119.66 110.96 1ilr s GLN 129 Ca 0.00 -0.33 -0.19 0.00 -1.95 0.00 0.00 55.36 52.89 1ilr s GLN 129 Cb 0.00 -2.91 -0.05 0.00 -0.22 0.00 0.00 33.01 29.83 1ilr s GLN 129 CO 0.00 0.48 1.14 -1.25 -0.25 0.00 0.00 175.29 175.41 1ilr s PRO 130 N -2.95 3.26 0.40 2.91 0.04 -1.26 -2.00 135.00 135.40 1ilr s PRO 130 Ca 0.38 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 1ilr s PRO 130 Cb -0.12 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1ilr s PRO 130 CO 0.28 -0.93 1.14 0.08 0.04 0.00 0.00 177.00 177.61 1ilr s VAL 131 N -1.78 3.27 0.00 -0.36 1.01 -0.01 -4.61 120.40 117.92 1ilr s VAL 131 Ca 0.73 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.76 1ilr s VAL 131 Cb -0.25 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1ilr s VAL 131 CO 0.29 0.08 0.00 -1.20 0.00 0.00 0.00 175.10 174.27 1ilr n SER 132 N 0.05 0.00 -3.92 3.32 7.64 -0.20 -4.88 113.62 115.64 1ilr n SER 132 Ca 0.04 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.73 1ilr n SER 132 Cb 0.47 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.51 1ilr n SER 132 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ilr s LEU 133 N 0.00 1.49 0.08 -3.43 1.43 -1.26 -0.49 118.68 116.49 1ilr s LEU 133 Ca 0.00 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1ilr s LEU 133 Cb 0.00 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 1ilr s LEU 133 CO 0.00 -0.02 -0.17 0.28 0.23 0.00 0.00 176.35 176.67 1ilr s THR 134 N 0.67 1.37 -1.30 5.49 -1.32 -0.34 -4.89 115.64 115.32 1ilr s THR 134 Ca -0.09 -1.34 0.15 0.00 -1.21 0.00 0.00 61.69 59.20 1ilr s THR 134 Cb -0.12 -1.26 0.43 0.00 -1.51 0.00 0.00 72.50 70.04 1ilr s THR 134 CO 0.00 -0.10 1.36 -0.46 -2.21 0.00 0.00 174.62 173.21 1ilr n ASN 135 N 1.34 3.32 -3.55 8.08 2.04 -1.26 -0.51 115.26 124.72 1ilr n ASN 135 Ca -0.20 -2.01 -0.27 0.00 -0.44 0.00 0.00 54.58 51.66 1ilr n ASN 135 Cb 0.54 -0.33 -0.10 0.00 -2.53 0.00 0.00 39.78 37.36 1ilr n ASN 135 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1ilr n MET 136 N 0.93 1.78 0.12 -3.83 2.81 -1.26 -4.89 117.12 112.77 1ilr n MET 136 Ca 0.16 -4.24 -0.05 0.00 -1.81 0.00 0.00 57.70 51.76 1ilr n MET 136 Cb 0.50 -2.06 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 1ilr n MET 136 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ilr h PRO 137 N 4.74 -0.30 0.00 0.03 0.11 -1.89 -3.29 132.00 131.39 1ilr h PRO 137 Ca 0.17 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ilr h PRO 137 Cb 0.75 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1ilr h PRO 137 CO 0.69 -0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 178.03 1ilr n ASP 138 N -3.02 0.00 -1.44 -2.05 9.92 -1.26 -3.52 116.55 115.18 1ilr n ASP 138 Ca -0.04 -0.21 -0.08 0.00 -0.53 0.00 0.00 54.79 53.93 1ilr n ASP 138 Cb 0.12 -0.10 0.06 0.00 -0.64 0.00 0.00 41.12 40.56 1ilr n ASP 138 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ilr n GLU 139 N -1.10 1.43 -2.73 -1.24 1.02 -1.24 -4.94 120.64 111.83 1ilr n GLU 139 Ca 0.08 -1.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.18 1ilr n GLU 139 Cb 0.06 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1ilr n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ilr n GLY 140 N 0.04 -0.02 0.02 0.62 0.00 -1.23 -4.74 105.19 99.88 1ilr n GLY 140 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.42 0.26 -4.28 1.61 0.31 -1.26 -5.02 118.33 108.52 1ilr n VAL 141 Ca -0.04 -0.12 -0.29 0.00 -0.01 0.00 0.00 64.34 63.89 1ilr n VAL 141 Cb 0.08 -0.74 -0.10 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.09 1.93 -0.07 5.55 -1.94 -1.26 -4.34 119.30 117.08 1ilr s MET 142 Ca -0.05 -1.16 -0.19 0.00 -1.71 0.00 0.00 55.69 52.58 1ilr s MET 142 Cb 0.01 -2.17 -0.05 0.00 2.01 0.00 0.00 34.83 34.64 1ilr s MET 142 CO 0.12 0.48 0.51 0.08 -0.01 0.00 0.00 175.02 176.19 1ilr s VAL 143 N -1.29 5.09 0.00 -6.03 1.01 0.68 -4.90 120.40 114.95 1ilr s VAL 143 Ca 0.20 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1ilr s VAL 143 Cb -0.10 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1ilr s VAL 143 CO 0.12 0.38 0.70 0.35 0.00 0.00 0.00 175.10 176.65 1ilr n THR 144 N 3.21 0.49 -4.57 3.92 -2.24 -1.26 -1.34 114.28 112.50 1ilr n THR 144 Ca -0.08 -0.58 -0.34 0.00 -2.27 0.00 0.00 64.05 60.78 1ilr n THR 144 Cb 0.52 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.49 2.85 0.04 -0.78 -0.14 -1.26 -4.42 119.74 115.53 1ilr s LYS 145 Ca 0.00 -0.52 -0.01 0.00 -1.36 0.00 0.00 55.97 54.08 1ilr s LYS 145 Cb 0.00 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 1ilr s LYS 145 CO 0.00 0.64 -0.03 -0.06 -0.76 0.00 0.00 175.35 175.14 1ilr s PHE 146 N -0.74 0.45 -0.32 3.18 0.08 -0.54 -2.88 117.98 117.21 1ilr s PHE 146 Ca 0.11 -0.93 -0.13 0.00 0.12 0.00 0.00 56.93 56.10 1ilr s PHE 146 Cb -0.11 -0.34 -0.03 0.00 -0.57 0.00 0.00 43.02 41.97 1ilr s PHE 146 CO 0.02 -0.33 0.27 0.71 -0.10 0.00 0.00 175.22 175.79 1ilr s TYR 147 N -3.31 3.22 -0.35 0.36 1.51 0.73 0.19 117.35 119.70 1ilr s TYR 147 Ca 0.01 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1ilr s TYR 147 Cb 0.04 -2.51 0.08 0.00 -0.11 0.00 0.00 41.96 39.46 1ilr s TYR 147 CO -0.08 -0.32 0.09 0.12 -1.11 0.00 0.00 175.55 174.25 1ilr s PHE 148 N 1.84 3.48 -0.03 2.71 5.36 -1.26 -2.20 117.98 127.89 1ilr s PHE 148 Ca 0.09 -2.30 0.07 0.00 -0.96 0.00 0.00 56.93 53.82 1ilr s PHE 148 Cb -0.17 -2.70 -0.01 0.00 -0.34 0.00 0.00 43.02 39.80 1ilr s PHE 148 CO 0.11 -0.90 -0.23 1.14 -1.46 0.00 0.00 175.22 173.88 1ilr s GLN 149 N 1.14 2.03 -0.54 10.12 -2.07 -0.49 -4.97 119.66 124.89 1ilr s GLN 149 Ca 0.03 -0.82 -0.26 0.00 -1.82 0.00 0.00 55.36 52.48 1ilr s GLN 149 Cb -0.21 -1.87 -0.04 0.00 -1.09 0.00 0.00 33.01 29.80 1ilr s GLN 149 CO -0.04 0.44 2.07 -1.21 -1.32 0.00 0.00 175.29 175.23 1ilr s GLU 150 N -0.37 2.49 0.31 9.60 8.01 -1.26 -0.23 118.70 137.25 1ilr s GLU 150 Ca 0.04 1.00 0.01 0.00 0.01 0.00 0.00 54.97 56.03 1ilr s GLU 150 Cb -0.10 -4.45 0.52 0.00 -4.31 0.00 0.00 34.13 25.78 1ilr s GLU 150 CO 0.01 -2.86 1.89 0.22 0.01 0.00 0.00 175.26 174.53 1ilr h ASP 151 N 16.53 0.69 0.00 -0.19 3.58 -1.64 -3.47 116.42 131.92 1ilr h ASP 151 Ca -0.26 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1ilr h ASP 151 Cb 1.20 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1ilr h ASP 151 CO 1.18 0.65 0.00 -0.62 -2.88 0.00 0.00 179.24 177.56