#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ixl s THR 2 N 0.00 2.14 0.24 3.17 2.01 -1.26 -5.00 115.64 116.93 2ixl s THR 2 Ca 0.00 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2ixl s THR 2 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2ixl s THR 2 CO 0.00 0.00 0.39 -1.61 -0.69 0.00 0.00 174.62 172.72 2ixl s GLU 3 N 1.38 3.47 -0.17 4.92 2.02 -1.26 -5.07 118.70 123.99 2ixl s GLU 3 Ca 0.75 -0.54 0.14 0.00 0.02 0.00 0.00 54.97 55.34 2ixl s GLU 3 Cb -0.49 -2.84 0.42 0.00 0.10 0.00 0.00 34.13 31.31 2ixl s GLU 3 CO 0.32 0.38 1.21 0.09 0.02 0.00 0.00 175.26 177.28 2ixl n ASN 4 N -1.15 1.59 -0.06 -0.19 3.02 -1.26 -4.80 115.26 112.41 2ixl n ASN 4 Ca -0.07 -3.54 -0.07 0.00 -0.03 0.00 0.00 54.58 50.88 2ixl n ASN 4 Cb 0.55 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 2ixl n ASN 4 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2ixl n PHE 5 N -0.83 0.00 -2.99 3.10 7.35 -1.26 -4.98 117.46 117.84 2ixl n PHE 5 Ca 0.16 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.51 2ixl n PHE 5 Cb 0.77 -0.38 -0.06 0.00 0.35 0.00 0.00 39.48 40.16 2ixl n PHE 5 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2ixl s PHE 6 N -2.63 3.48 -0.86 -5.13 0.40 -1.26 -4.44 117.98 107.53 2ixl s PHE 6 Ca -0.22 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.55 2ixl s PHE 6 Cb 0.03 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.87 2ixl s PHE 6 CO 0.33 0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.78 2ixl n GLY 7 N -0.02 0.97 3.73 4.36 0.00 -0.81 -4.90 105.19 108.52 2ixl n GLY 7 Ca 0.03 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2ixl n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ixl s LYS 8 N -2.46 2.37 0.14 1.61 1.02 -1.26 -4.96 119.74 116.20 2ixl s LYS 8 Ca 0.00 1.75 -0.26 0.00 0.02 0.00 0.00 55.97 57.47 2ixl s LYS 8 Cb 0.00 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 2ixl s LYS 8 CO 0.00 -1.65 0.81 0.99 -0.92 0.00 0.00 175.35 174.58 2ixl s THR 9 N -1.93 4.44 0.08 2.17 2.01 -1.26 -3.78 115.64 117.38 2ixl s THR 9 Ca 0.74 1.77 -0.31 0.00 0.31 0.00 0.00 61.69 64.20 2ixl s THR 9 Cb -0.29 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 2ixl s THR 9 CO 0.42 0.46 1.89 -0.11 -0.69 0.00 0.00 174.62 176.60 2ixl n LEU 10 N 2.02 4.06 -3.67 4.42 7.94 -1.26 -4.71 117.00 125.80 2ixl n LEU 10 Ca -0.04 0.95 -0.13 0.00 -1.11 0.00 0.00 56.01 55.69 2ixl n LEU 10 Cb 0.49 -1.53 -0.06 0.00 0.53 0.00 0.00 43.42 42.85 2ixl n LEU 10 CO 0.47 0.17 0.15 0.00 -1.11 0.00 0.00 177.39 177.08 2ixl s ALA 11 N 3.47 -1.01 0.07 1.96 0.00 -1.13 -5.00 121.76 120.13 2ixl s ALA 11 Ca 0.85 0.33 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2ixl s ALA 11 Cb -0.48 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2ixl s ALA 11 CO 0.40 -0.44 -0.20 0.00 0.00 0.00 0.00 175.76 175.52 2ixl s ALA 12 N -2.37 1.68 0.03 0.00 0.00 -1.26 -1.30 121.76 118.53 2ixl s ALA 12 Ca -0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 2ixl s ALA 12 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2ixl s ALA 12 CO -0.02 0.35 -0.02 1.03 0.00 0.00 0.00 175.76 177.10 2ixl s ARG 13 N -1.56 0.38 0.76 0.00 0.52 -0.23 -4.97 118.95 113.85 2ixl s ARG 13 Ca 0.06 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 2ixl s ARG 13 Cb -0.09 0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.57 2ixl s ARG 13 CO 0.03 -0.07 1.12 -1.25 0.02 0.00 0.00 175.30 175.16 2ixl s PRO 14 N -1.94 2.32 -0.36 3.54 0.04 -1.26 -0.87 135.00 136.46 2ixl s PRO 14 Ca -0.11 0.19 -0.04 0.00 0.04 0.00 0.00 61.00 61.07 2ixl s PRO 14 Cb -0.06 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.54 2ixl s PRO 14 CO -0.03 -1.34 0.13 0.08 0.04 0.00 0.00 177.00 175.88 2ixl s VAL 15 N -3.45 3.43 0.27 -0.36 1.01 -1.24 -4.79 120.40 115.27 2ixl s VAL 15 Ca 0.60 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2ixl s VAL 15 Cb -0.11 -3.11 0.27 0.00 0.00 0.00 0.00 36.38 33.43 2ixl s VAL 15 CO 0.49 -0.38 1.69 -0.33 0.00 0.00 0.00 175.10 176.58 2ixl h GLU 16 N 8.12 0.36 0.00 2.72 5.08 -1.97 -1.36 114.58 127.52 2ixl h GLU 16 Ca -0.19 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2ixl h GLU 16 Cb 1.06 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2ixl h GLU 16 CO 0.64 0.24 -0.07 0.00 -1.00 0.00 0.00 179.01 178.81 2ixl h ALA 17 N 1.67 0.99 -2.94 3.43 0.00 -1.95 -3.39 119.26 117.07 2ixl h ALA 17 Ca 0.51 -0.06 -0.61 0.00 0.00 0.00 0.00 54.91 54.75 2ixl h ALA 17 Cb 0.93 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.31 2ixl h ALA 17 CO -0.52 0.09 -0.75 0.42 0.00 0.00 0.00 179.25 178.49 2ixl s ILE 18 N -3.54 1.27 0.29 0.00 1.01 -0.51 -4.79 121.20 114.92 2ixl s ILE 18 Ca 0.02 -2.47 -0.29 0.00 0.00 0.00 0.00 60.65 57.91 2ixl s ILE 18 Cb 0.08 -1.89 -0.13 0.00 0.01 0.00 0.00 42.46 40.53 2ixl s ILE 18 CO 0.60 -0.91 1.18 -2.65 0.00 0.00 0.00 174.94 173.16 2ixl n PRO 19 N 3.58 1.73 0.00 2.79 -0.02 -1.26 -2.26 135.00 139.57 2ixl n PRO 19 Ca 0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2ixl n PRO 19 Cb 0.35 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2ixl n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ixl n GLY 20 N 1.23 3.22 3.78 -1.23 0.00 -1.26 -4.92 105.19 106.01 2ixl n GLY 20 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2ixl n GLY 20 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ixl s MET 21 N -0.54 3.87 -0.02 1.61 0.00 -0.96 -4.54 119.30 118.72 2ixl s MET 21 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 55.69 57.36 2ixl s MET 21 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 34.83 32.43 2ixl s MET 21 CO 0.00 -0.43 -0.08 -0.51 0.00 0.00 0.00 175.02 174.00 2ixl s LEU 22 N -2.99 1.84 -0.17 4.11 1.43 -0.95 -3.63 118.68 118.32 2ixl s LEU 22 Ca 0.63 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2ixl s LEU 22 Cb -0.25 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 2ixl s LEU 22 CO 0.31 0.07 -0.06 -0.70 0.23 0.00 0.00 176.35 176.20 2ixl s GLU 23 N 0.09 3.50 -0.03 1.70 2.12 -0.05 -0.89 118.70 125.14 2ixl s GLU 23 Ca -0.01 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.74 2ixl s GLU 23 Cb -0.07 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 2ixl s GLU 23 CO 0.00 0.07 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.67 2ixl s PHE 24 N 0.78 2.92 -0.17 5.30 0.40 -0.19 -1.07 117.98 125.95 2ixl s PHE 24 Ca -0.02 -0.00 -0.16 0.00 -0.60 0.00 0.00 56.93 56.14 2ixl s PHE 24 Cb -0.15 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 2ixl s PHE 24 CO 0.02 0.36 0.41 -0.51 0.70 0.00 0.00 175.22 176.20 2ixl s ASP 25 N -1.15 6.52 -0.18 1.36 1.01 -0.42 -2.04 116.67 121.78 2ixl s ASP 25 Ca 0.15 0.61 -0.04 0.00 0.71 0.00 0.00 52.55 53.98 2ixl s ASP 25 Cb -0.11 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2ixl s ASP 25 CO 0.05 -0.03 -0.02 -0.63 0.21 0.00 0.00 175.17 174.74 2ixl s ILE 26 N 0.99 3.86 0.04 0.77 -1.09 -0.33 -2.81 121.20 122.62 2ixl s ILE 26 Ca 0.21 -0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 57.97 2ixl s ILE 26 Cb -0.15 -2.72 -0.09 0.00 -1.58 0.00 0.00 42.46 37.93 2ixl s ILE 26 CO 0.08 0.46 1.85 -2.84 -1.23 0.00 0.00 174.94 173.26 2ixl s PRO 27 N 0.74 4.15 -0.18 2.79 0.02 -1.25 -4.62 135.00 136.65 2ixl s PRO 27 Ca -0.01 2.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.51 2ixl s PRO 27 Cb -0.14 -3.95 0.00 0.00 0.02 0.00 0.00 34.50 30.43 2ixl s PRO 27 CO 0.02 -0.89 -0.13 0.08 -0.33 0.00 0.00 177.00 175.75 2ixl s VAL 28 N 3.83 2.76 -0.34 3.83 1.01 -1.26 -4.38 120.40 125.84 2ixl s VAL 28 Ca 0.83 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2ixl s VAL 28 Cb -0.41 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2ixl s VAL 28 CO 0.37 0.49 0.18 -1.00 0.00 0.00 0.00 175.10 175.15 2ixl s HIS 29 N 1.16 3.21 0.03 5.22 3.76 -0.54 -1.93 115.29 126.20 2ixl s HIS 29 Ca 0.01 -0.68 -0.08 0.00 -0.15 0.00 0.00 55.06 54.17 2ixl s HIS 29 Cb -0.14 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 2ixl s HIS 29 CO -0.05 -0.52 0.31 0.20 -0.85 0.00 0.00 174.74 173.83 2ixl s GLY 30 N 1.60 2.28 0.00 -2.22 0.00 -1.26 -1.59 107.32 106.13 2ixl s GLY 30 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.25 2ixl s GLY 30 CO 0.07 -0.31 0.00 2.09 0.00 0.00 0.00 173.10 174.95 2ixl n ASP 31 N 1.07 0.00 0.30 1.64 5.68 -0.54 -5.00 116.55 119.71 2ixl n ASP 31 Ca -0.10 -0.66 0.19 0.00 -0.50 0.00 0.00 54.79 53.72 2ixl n ASP 31 Cb 0.53 0.00 1.01 0.00 -1.14 0.00 0.00 41.12 41.51 2ixl n ASP 31 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2ixl h ASN 32 N 0.00 0.00 0.51 -1.12 -1.07 -2.04 -2.65 115.58 109.21 2ixl h ASN 32 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 2ixl h ASN 32 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2ixl h ASN 32 CO 0.00 0.00 -1.51 0.54 0.07 0.00 0.00 177.43 176.53 2ixl n ARG 33 N -2.86 0.63 0.00 4.14 1.74 -1.26 -5.07 116.66 113.97 2ixl n ARG 33 Ca -0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2ixl n ARG 33 Cb 0.14 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 2ixl n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ixl n GLY 34 N 1.25 0.62 3.54 -0.13 0.00 -1.00 -5.13 105.19 104.34 2ixl n GLY 34 Ca -0.03 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 2ixl n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ixl s TRP 35 N 0.00 0.38 -0.01 1.61 1.48 -1.26 -1.46 118.94 119.67 2ixl s TRP 35 Ca 0.00 -0.73 0.01 0.00 -1.06 0.00 0.00 56.10 54.32 2ixl s TRP 35 Cb 0.00 0.14 0.01 0.00 -1.16 0.00 0.00 33.47 32.46 2ixl s TRP 35 CO 0.00 -0.95 -0.02 0.12 -4.06 0.00 0.00 176.95 172.05 2ixl s PHE 36 N -4.01 0.24 0.02 1.66 5.36 -0.62 -4.98 117.98 115.65 2ixl s PHE 36 Ca 0.22 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 2ixl s PHE 36 Cb 0.00 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.45 2ixl s PHE 36 CO 0.08 -0.04 -0.05 -1.59 -1.46 0.00 0.00 175.22 172.16 2ixl s LYS 37 N 0.24 0.39 -0.99 10.12 -2.85 -1.26 -1.46 119.74 123.93 2ixl s LYS 37 Ca -0.02 -0.56 -0.21 0.00 -1.00 0.00 0.00 55.97 54.18 2ixl s LYS 37 Cb -0.04 -0.14 0.09 0.00 -2.06 0.00 0.00 37.83 35.67 2ixl s LYS 37 CO -0.01 0.02 1.32 -1.21 0.10 0.00 0.00 175.35 175.58 2ixl s GLU 38 N -1.20 3.61 0.24 1.78 2.02 -1.26 -4.90 118.70 118.98 2ixl s GLU 38 Ca -0.10 -1.42 -0.07 0.00 0.02 0.00 0.00 54.97 53.40 2ixl s GLU 38 Cb -0.08 -5.18 0.26 0.00 0.10 0.00 0.00 34.13 29.24 2ixl s GLU 38 CO -0.00 -2.02 1.88 -0.97 0.02 0.00 0.00 175.26 174.17 2ixl h ASN 39 N 9.32 0.95 -3.61 -0.19 -0.73 -1.97 -3.42 115.58 115.94 2ixl h ASN 39 Ca 0.19 -0.01 -0.28 0.00 1.87 0.00 0.00 56.30 58.07 2ixl h ASN 39 Cb 1.01 -0.22 -0.32 0.00 0.27 0.00 0.00 38.32 39.07 2ixl h ASN 39 CO 1.29 0.65 -0.73 0.12 -0.37 0.00 0.00 177.43 178.40 2ixl s PHE 40 N -6.10 0.05 -0.21 0.67 5.36 -1.26 -5.04 117.98 111.45 2ixl s PHE 40 Ca -0.13 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 55.87 2ixl s PHE 40 Cb 0.17 -0.16 0.08 0.00 -0.34 0.00 0.00 43.02 42.77 2ixl s PHE 40 CO 0.80 -0.06 0.15 -1.14 -1.46 0.00 0.00 175.22 173.51 2ixl s GLN 41 N 0.65 0.14 0.20 10.12 -0.44 -1.26 -5.06 119.66 124.00 2ixl s GLN 41 Ca -0.05 -0.07 -0.10 0.00 -2.50 0.00 0.00 55.36 52.63 2ixl s GLN 41 Cb -0.08 -1.46 0.13 0.00 -1.64 0.00 0.00 33.01 29.97 2ixl s GLN 41 CO -0.02 -0.75 1.81 -0.22 0.50 0.00 0.00 175.29 176.62 2ixl h LYS 42 N 8.38 1.00 -0.22 1.67 3.64 -2.00 -0.78 116.57 128.25 2ixl h LYS 42 Ca -0.16 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.01 2ixl h LYS 42 Cb 1.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2ixl h LYS 42 CO 0.32 0.75 -0.23 1.49 -2.27 0.00 0.00 179.45 179.50 2ixl h GLU 43 N 0.98 0.41 0.00 1.90 4.81 -2.02 -1.74 114.58 118.92 2ixl h GLU 43 Ca 0.25 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2ixl h GLU 43 Cb 0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2ixl h GLU 43 CO -0.04 0.62 -0.73 0.87 -0.73 0.00 0.00 179.01 179.00 2ixl h LYS 44 N 0.37 0.00 0.01 1.92 1.57 -1.91 -3.39 116.57 115.13 2ixl h LYS 44 Ca 0.06 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.51 2ixl h LYS 44 Cb 0.61 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 2ixl h LYS 44 CO 0.04 0.33 -2.01 -1.33 -0.57 0.00 0.00 179.45 175.90 2ixl n MET 45 N -3.06 0.66 -0.21 3.15 2.81 -0.33 -4.22 117.12 115.92 2ixl n MET 45 Ca -0.01 0.17 0.01 0.00 -1.81 0.00 0.00 57.70 56.06 2ixl n MET 45 Cb 0.71 -1.67 0.12 0.00 -0.71 0.00 0.00 33.22 31.67 2ixl n MET 45 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2ixl h LEU 46 N 0.00 0.18 -2.58 4.03 3.38 -1.52 -1.76 115.31 117.04 2ixl h LEU 46 Ca -0.41 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2ixl h LEU 46 Cb 2.10 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.94 2ixl h LEU 46 CO 0.05 0.10 0.00 -0.65 0.09 0.00 0.00 178.44 178.04 2ixl h PRO 47 N 0.37 0.00 -0.13 1.13 0.11 -1.77 -1.96 132.00 129.76 2ixl h PRO 47 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2ixl h PRO 47 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2ixl h PRO 47 CO -0.34 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.73 2ixl n LEU 48 N -3.67 1.68 0.00 2.35 4.77 -0.68 -4.92 117.00 116.52 2ixl n LEU 48 Ca -0.03 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2ixl n LEU 48 Cb 0.08 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2ixl n LEU 48 CO 0.26 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2ixl n GLY 49 N 1.16 0.64 3.68 -0.72 0.00 -0.73 -4.76 105.19 104.45 2ixl n GLY 49 Ca 0.17 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.70 2ixl n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ixl n PHE 50 N -1.53 2.31 -2.08 1.61 7.35 -1.09 -4.86 117.46 119.18 2ixl n PHE 50 Ca 0.00 0.01 -0.42 0.00 -0.76 0.00 0.00 57.45 56.28 2ixl n PHE 50 Cb 0.00 -2.66 -0.03 0.00 0.35 0.00 0.00 39.48 37.14 2ixl n PHE 50 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2ixl s PRO 51 N 4.17 4.28 0.57 -7.13 0.04 -1.26 -4.57 135.00 131.09 2ixl s PRO 51 Ca 0.93 2.20 0.28 0.00 0.04 0.00 0.00 61.00 64.45 2ixl s PRO 51 Cb -0.70 -3.20 1.69 0.00 0.04 0.00 0.00 34.50 32.33 2ixl s PRO 51 CO 0.52 -0.48 2.21 0.93 0.04 0.00 0.00 177.00 180.22 2ixl h GLU 52 N 6.48 0.00 -0.09 4.56 5.08 -1.95 -2.10 114.58 126.56 2ixl h GLU 52 Ca -0.43 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 2ixl h GLU 52 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ixl h GLU 52 CO 0.86 0.03 0.10 0.66 -1.00 0.00 0.00 179.01 179.66 2ixl h SER 53 N 0.00 0.00 -0.78 1.42 4.64 -2.01 -0.72 113.55 116.10 2ixl h SER 53 Ca -0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2ixl h SER 53 Cb 0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 2ixl h SER 53 CO 0.00 0.00 0.52 0.15 -0.87 0.00 0.00 176.83 176.63 2ixl h PHE 54 N 0.00 0.58 -0.02 4.77 3.57 -1.77 -2.90 116.94 121.17 2ixl h PHE 54 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2ixl h PHE 54 Cb 0.24 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2ixl h PHE 54 CO 0.00 0.23 -0.26 1.19 -2.23 0.00 0.00 178.31 177.24 2ixl n PHE 55 N -4.50 0.00 0.04 0.41 3.01 -0.28 -4.68 117.46 111.46 2ixl n PHE 55 Ca 0.15 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.66 2ixl n PHE 55 Cb 0.49 0.00 0.48 0.00 -0.01 0.00 0.00 39.48 40.44 2ixl n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ixl h ALA 56 N 4.26 1.80 -0.13 4.37 0.00 -1.47 -2.09 119.26 126.00 2ixl h ALA 56 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ixl h ALA 56 Cb 0.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ixl h ALA 56 CO 0.00 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.81 2ixl n GLU 57 N -4.49 1.67 -1.59 0.00 1.02 -1.26 -4.99 120.64 111.00 2ixl n GLU 57 Ca 0.03 -1.69 -0.13 0.00 -0.02 0.00 0.00 57.16 55.34 2ixl n GLU 57 Cb 0.10 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.13 2ixl n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ixl n GLY 58 N 0.98 1.04 3.77 0.62 0.00 -0.79 -5.00 105.19 105.81 2ixl n GLY 58 Ca 0.12 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2ixl n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ixl s LYS 59 N -3.48 4.14 -0.10 1.61 1.02 -1.26 -5.08 119.74 116.59 2ixl s LYS 59 Ca 0.00 0.33 -0.05 0.00 0.02 0.00 0.00 55.97 56.27 2ixl s LYS 59 Cb 0.00 -3.35 0.05 0.00 -0.52 0.00 0.00 37.83 34.01 2ixl s LYS 59 CO 0.00 0.39 0.24 -1.17 -0.92 0.00 0.00 175.35 173.89 2ixl s LEU 60 N -0.08 0.38 -0.07 3.17 2.96 -1.26 -4.46 118.68 119.32 2ixl s LEU 60 Ca 0.22 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.59 2ixl s LEU 60 Cb -0.15 0.70 0.02 0.00 0.50 0.00 0.00 46.19 47.26 2ixl s LEU 60 CO 0.10 -0.17 0.18 -1.58 -1.32 0.00 0.00 176.35 173.55 2ixl s GLN 61 N 1.34 0.19 -0.20 1.98 0.74 -0.87 -5.02 119.66 117.83 2ixl s GLN 61 Ca -0.08 0.29 -0.01 0.00 0.05 0.00 0.00 55.36 55.60 2ixl s GLN 61 Cb -0.11 0.04 0.01 0.00 1.10 0.00 0.00 33.01 34.05 2ixl s GLN 61 CO -0.08 -0.06 -0.12 1.21 -0.55 0.00 0.00 175.29 175.69 2ixl s ASN 62 N 0.35 3.72 0.10 6.67 2.47 -1.26 -0.89 114.94 126.10 2ixl s ASN 62 Ca -0.02 -0.52 0.05 0.00 0.42 0.00 0.00 52.86 52.79 2ixl s ASN 62 Cb -0.03 -1.61 -0.04 0.00 -1.45 0.00 0.00 41.25 38.12 2ixl s ASN 62 CO -0.01 -0.00 0.00 0.20 -3.72 0.00 0.00 177.10 173.57 2ixl s ASN 63 N 1.35 5.04 -0.05 -4.21 0.01 -0.22 -4.98 114.94 111.88 2ixl s ASN 63 Ca 0.05 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 2ixl s ASN 63 Cb -0.14 -1.20 0.02 0.00 0.41 0.00 0.00 41.25 40.34 2ixl s ASN 63 CO -0.08 0.17 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.91 2ixl s VAL 64 N -1.34 0.83 -0.09 1.60 1.01 -1.26 -1.27 120.40 119.88 2ixl s VAL 64 Ca 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2ixl s VAL 64 Cb -0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2ixl s VAL 64 CO 0.19 0.29 -0.12 -0.94 0.00 0.00 0.00 175.10 174.51 2ixl s SER 65 N 0.75 4.12 -0.18 3.32 1.04 -0.32 -4.98 113.70 117.44 2ixl s SER 65 Ca -0.13 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 2ixl s SER 65 Cb -0.15 -1.28 -0.03 0.00 0.10 0.00 0.00 66.02 64.67 2ixl s SER 65 CO 0.02 0.26 -0.01 0.12 0.98 0.00 0.00 173.24 174.60 2ixl s PHE 66 N -0.19 3.04 0.02 5.02 5.36 -1.26 -0.70 117.98 129.26 2ixl s PHE 66 Ca 0.00 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 2ixl s PHE 66 Cb -0.13 -2.04 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2ixl s PHE 66 CO 0.03 -0.16 -0.09 -1.12 -1.46 0.00 0.00 175.22 172.42 2ixl s SER 67 N 0.77 1.09 0.57 6.13 0.01 -0.57 -4.99 113.70 116.71 2ixl s SER 67 Ca -0.00 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 2ixl s SER 67 Cb -0.14 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 2ixl s SER 67 CO 0.02 0.01 0.89 -0.13 0.41 0.00 0.00 173.24 174.44 2ixl s ARG 68 N -0.74 3.15 0.33 12.44 0.52 -1.26 -1.39 118.95 132.00 2ixl s ARG 68 Ca -0.00 0.14 -0.28 0.00 -0.52 0.00 0.00 55.73 55.07 2ixl s ARG 68 Cb -0.06 -2.27 -0.13 0.00 0.52 0.00 0.00 34.95 33.02 2ixl s ARG 68 CO 0.00 -0.57 1.25 1.17 0.02 0.00 0.00 175.30 177.18 2ixl n LYS 69 N -2.53 2.01 -0.12 3.54 4.81 -0.19 -2.21 118.16 123.47 2ixl n LYS 69 Ca 0.04 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 2ixl n LYS 69 Cb 0.57 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.36 2ixl n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ixl n ASN 70 N 0.86 0.00 -4.74 3.14 3.02 -1.07 -4.89 115.26 111.58 2ixl n ASN 70 Ca 0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2ixl n ASN 70 Cb 0.35 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 2ixl n ASN 70 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ixl s VAL 71 N -3.06 2.27 -0.10 2.41 1.01 -0.94 -0.95 120.40 121.04 2ixl s VAL 71 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2ixl s VAL 71 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2ixl s VAL 71 CO 0.00 0.03 -0.09 -0.22 0.00 0.00 0.00 175.10 174.82 2ixl s LEU 72 N -0.25 1.35 -0.06 3.92 0.20 -0.64 -1.12 118.68 122.07 2ixl s LEU 72 Ca 0.63 -0.31 0.05 0.00 0.69 0.00 0.00 54.13 55.20 2ixl s LEU 72 Cb -0.46 -0.84 -0.01 0.00 -0.43 0.00 0.00 46.19 44.45 2ixl s LEU 72 CO 0.44 -0.07 -0.23 -0.13 -0.29 0.00 0.00 176.35 176.08 2ixl s ARG 73 N 1.37 2.63 0.00 1.98 0.52 -0.42 -4.49 118.95 120.54 2ixl s ARG 73 Ca -0.01 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 2ixl s ARG 73 Cb -0.14 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2ixl s ARG 73 CO -0.05 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.08 2ixl n GLY 74 N 2.93 1.00 3.47 -3.53 0.00 -1.26 -0.91 105.19 106.89 2ixl n GLY 74 Ca -0.17 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 2ixl n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ixl s LEU 75 N 0.00 3.39 -0.10 0.99 1.43 -1.04 -4.41 118.68 118.94 2ixl s LEU 75 Ca 0.00 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2ixl s LEU 75 Cb 0.00 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2ixl s LEU 75 CO 0.00 0.05 -0.15 -1.00 0.23 0.00 0.00 176.35 175.48 2ixl s HIS 76 N 1.10 1.91 -0.75 0.29 3.76 -0.72 -1.75 115.29 119.13 2ixl s HIS 76 Ca 0.03 -0.84 -0.11 0.00 -0.15 0.00 0.00 55.06 53.98 2ixl s HIS 76 Cb -0.14 -1.37 0.20 0.00 1.11 0.00 0.00 32.58 32.37 2ixl s HIS 76 CO 0.02 -0.42 0.66 0.00 -0.85 0.00 0.00 174.74 174.15 2ixl s ALA 77 N 0.86 3.92 0.54 -1.40 0.00 0.51 -1.04 121.76 125.14 2ixl s ALA 77 Ca -0.10 -3.23 -0.14 0.00 0.00 0.00 0.00 51.96 48.50 2ixl s ALA 77 Cb -0.15 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 2ixl s ALA 77 CO 0.01 -2.21 0.97 -1.21 0.00 0.00 0.00 175.76 173.32 2ixl s GLU 78 N 0.26 3.81 -0.22 0.00 2.02 -1.26 -2.05 118.70 121.25 2ixl s GLU 78 Ca 0.16 0.82 -0.06 0.00 0.02 0.00 0.00 54.97 55.91 2ixl s GLU 78 Cb -0.14 -2.15 -0.17 0.00 0.10 0.00 0.00 34.13 31.76 2ixl s GLU 78 CO -0.07 -0.34 3.37 -0.35 0.02 0.00 0.00 175.26 177.89 2ixl n PRO 79 N -1.94 2.24 -3.69 0.39 -0.04 -1.26 -4.21 135.00 126.49 2ixl n PRO 79 Ca 0.06 -1.44 -0.09 0.00 -0.04 0.00 0.00 63.50 61.99 2ixl n PRO 79 Cb 0.54 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 2ixl n PRO 79 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2ixl s TRP 80 N 0.37 -0.32 0.53 0.54 -2.14 -1.26 -4.95 118.94 111.71 2ixl s TRP 80 Ca 0.65 -0.04 -0.13 0.00 2.66 0.00 0.00 56.10 59.24 2ixl s TRP 80 Cb 0.32 0.65 -0.06 0.00 -3.10 0.00 0.00 33.47 31.28 2ixl s TRP 80 CO -0.06 -1.08 0.95 -0.51 -2.66 0.00 0.00 176.95 173.59 2ixl s ASP 81 N -2.85 6.46 -0.00 -2.66 1.01 -1.26 -3.84 116.67 113.53 2ixl s ASP 81 Ca 0.07 1.41 0.01 0.00 0.71 0.00 0.00 52.55 54.76 2ixl s ASP 81 Cb -0.04 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 2ixl s ASP 81 CO -0.01 -0.64 -0.04 -0.54 0.21 0.00 0.00 175.17 174.15 2ixl s LYS 82 N -4.42 0.35 -0.23 8.23 1.02 -0.63 -3.62 119.74 120.42 2ixl s LYS 82 Ca 0.56 -0.14 0.02 0.00 0.02 0.00 0.00 55.97 56.43 2ixl s LYS 82 Cb -0.10 -0.34 0.05 0.00 -0.52 0.00 0.00 37.83 36.91 2ixl s LYS 82 CO 0.39 0.08 -0.12 -0.47 -0.92 0.00 0.00 175.35 174.31 2ixl s TYR 83 N -0.04 2.96 -0.02 3.18 5.04 -0.38 -0.50 117.35 127.59 2ixl s TYR 83 Ca 0.01 -2.04 0.03 0.00 -2.44 0.00 0.00 57.07 52.63 2ixl s TYR 83 Cb -0.02 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.41 2ixl s TYR 83 CO -0.00 -0.84 -0.10 0.42 -1.34 0.00 0.00 175.55 173.69 2ixl s ILE 84 N 1.21 3.42 0.30 3.14 1.01 0.10 -1.25 121.20 129.13 2ixl s ILE 84 Ca -0.05 -0.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 2ixl s ILE 84 Cb -0.18 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.87 2ixl s ILE 84 CO -0.07 0.47 0.62 -0.94 0.00 0.00 0.00 174.94 175.03 2ixl s SER 85 N -1.14 -0.02 -0.13 3.58 1.04 -0.73 -1.30 113.70 115.01 2ixl s SER 85 Ca 0.15 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.62 2ixl s SER 85 Cb -0.11 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 2ixl s SER 85 CO 0.04 -1.34 -0.03 -0.69 0.98 0.00 0.00 173.24 172.20 2ixl s VAL 86 N -3.53 4.00 -0.88 5.02 1.01 -1.26 -1.24 120.40 123.53 2ixl s VAL 86 Ca 0.18 -0.33 0.20 0.00 0.00 0.00 0.00 61.98 62.03 2ixl s VAL 86 Cb -0.03 -2.73 -0.23 0.00 0.00 0.00 0.00 36.38 33.39 2ixl s VAL 86 CO 0.10 0.53 0.83 0.00 0.00 0.00 0.00 175.10 176.56 2ixl n ALA 87 N 3.05 4.50 -3.00 5.51 0.00 -0.04 -4.21 120.51 126.31 2ixl n ALA 87 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2ixl n ALA 87 Cb 0.53 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2ixl n ALA 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ixl n ASP 88 N -1.56 0.97 -0.25 0.00 5.75 -1.26 -5.00 116.55 115.20 2ixl n ASP 88 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.89 2ixl n ASP 88 Cb 0.34 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.83 2ixl n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ixl n GLY 89 N 4.68 -0.41 3.32 6.12 0.00 -1.26 -4.47 105.19 113.17 2ixl n GLY 89 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 2ixl n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ixl n GLY 90 N 0.90 -1.02 3.15 -0.02 0.00 -1.26 -4.98 105.19 101.95 2ixl n GLY 90 Ca 0.13 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 2ixl n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ixl s LYS 91 N -5.34 0.39 0.14 1.61 1.02 -1.26 -4.45 119.74 111.85 2ixl s LYS 91 Ca 0.63 0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.81 2ixl s LYS 91 Cb -0.02 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2ixl s LYS 91 CO 0.44 -0.07 -0.13 0.14 -0.92 0.00 0.00 175.35 174.81 2ixl s VAL 92 N -0.37 1.34 -0.53 3.17 -7.23 -0.66 -1.27 120.40 114.86 2ixl s VAL 92 Ca -0.05 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.02 2ixl s VAL 92 Cb -0.03 -1.71 0.06 0.00 0.56 0.00 0.00 36.38 35.26 2ixl s VAL 92 CO 0.01 -0.55 0.70 -0.22 -0.31 0.00 0.00 175.10 174.73 2ixl s LEU 93 N -2.81 4.83 0.29 1.32 2.96 -0.13 -0.98 118.68 124.16 2ixl s LEU 93 Ca 0.13 -0.86 -0.28 0.00 -0.22 0.00 0.00 54.13 52.90 2ixl s LEU 93 Cb -0.02 -2.50 -0.09 0.00 0.50 0.00 0.00 46.19 44.08 2ixl s LEU 93 CO 0.03 -0.98 0.98 -0.83 -1.32 0.00 0.00 176.35 174.22 2ixl s GLY 94 N 2.82 2.96 -0.04 7.98 0.00 -0.09 -2.01 107.32 118.93 2ixl s GLY 94 Ca 0.18 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.52 2ixl s GLY 94 CO 0.13 1.15 0.08 -1.59 0.00 0.00 0.00 173.10 172.87 2ixl s THR 95 N -1.38 -0.05 -0.00 0.90 2.01 -0.69 -1.94 115.64 114.48 2ixl s THR 95 Ca 0.47 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.69 2ixl s THR 95 Cb -0.24 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 2ixl s THR 95 CO 0.30 0.08 -0.11 0.26 -0.69 0.00 0.00 174.62 174.46 2ixl s TRP 96 N 1.06 0.97 -0.08 4.92 0.51 -0.40 -1.54 118.94 124.39 2ixl s TRP 96 Ca -0.09 -0.20 -0.01 0.00 -2.12 0.00 0.00 56.10 53.69 2ixl s TRP 96 Cb -0.12 -0.62 0.03 0.00 -0.81 0.00 0.00 33.47 31.95 2ixl s TRP 96 CO -0.04 -0.01 -0.03 0.08 -0.51 0.00 0.00 176.95 176.44 2ixl s VAL 97 N -0.31 0.58 -0.15 4.03 1.01 -0.97 -1.97 120.40 122.63 2ixl s VAL 97 Ca 0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2ixl s VAL 97 Cb -0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2ixl s VAL 97 CO -0.00 0.28 1.31 -0.62 0.00 0.00 0.00 175.10 176.07 2ixl s ASP 98 N 1.68 6.92 -0.12 3.32 -1.08 -0.23 -0.78 116.67 126.38 2ixl s ASP 98 Ca 0.02 1.76 0.15 0.00 -0.52 0.00 0.00 52.55 53.95 2ixl s ASP 98 Cb -0.13 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.25 2ixl s ASP 98 CO -0.05 -0.77 1.37 0.18 0.52 0.00 0.00 175.17 176.42 2ixl n LEU 99 N 6.60 3.58 -4.77 -1.34 4.77 -0.64 -0.75 117.00 124.44 2ixl n LEU 99 Ca 0.14 -2.67 -0.39 0.00 -0.03 0.00 0.00 56.01 53.06 2ixl n LEU 99 Cb 0.45 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2ixl n LEU 99 CO 0.57 0.69 0.58 -0.13 -1.33 0.00 0.00 177.39 177.77 2ixl s ARG 100 N -2.21 4.64 0.23 3.23 0.52 -1.20 -1.10 118.95 123.06 2ixl s ARG 100 Ca 0.36 1.29 -0.32 0.00 -0.52 0.00 0.00 55.73 56.54 2ixl s ARG 100 Cb 0.27 -3.10 -0.13 0.00 0.52 0.00 0.00 34.95 32.51 2ixl s ARG 100 CO 0.11 0.46 1.53 -1.91 0.02 0.00 0.00 175.30 175.51 2ixl n GLU 101 N 1.18 2.33 0.00 3.54 2.13 0.60 -3.80 120.64 126.62 2ixl n GLU 101 Ca -0.02 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2ixl n GLU 101 Cb 0.49 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.63 2ixl n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ixl n GLY 102 N 2.64 0.86 0.00 8.31 0.00 -1.26 -4.87 105.19 110.87 2ixl n GLY 102 Ca 0.12 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 44.24 2ixl n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ixl n GLU 103 N 0.00 0.01 -0.13 1.61 0.28 -1.26 -2.93 120.64 118.22 2ixl n GLU 103 Ca 0.00 0.22 0.07 0.00 -0.16 0.00 0.00 57.16 57.28 2ixl n GLU 103 Cb 0.00 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.51 2ixl n GLU 103 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2ixl n THR 104 N -1.49 0.60 -1.67 3.84 -2.24 -1.26 -5.00 114.28 107.06 2ixl n THR 104 Ca 0.04 -0.80 -0.49 0.00 -2.27 0.00 0.00 64.05 60.52 2ixl n THR 104 Cb 0.19 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 2ixl n THR 104 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2ixl n PHE 105 N 0.75 2.17 -0.03 4.78 7.35 -1.15 -1.47 117.46 129.87 2ixl n PHE 105 Ca 0.12 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2ixl n PHE 105 Cb 0.42 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.69 2ixl n PHE 105 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ixl n GLY 106 N 3.84 1.15 3.74 7.13 0.00 0.07 -5.02 105.19 116.10 2ixl n GLY 106 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2ixl n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ixl s ASN 107 N -2.81 4.83 0.21 1.61 -0.87 -0.54 -4.71 114.94 112.66 2ixl s ASN 107 Ca 0.00 2.45 0.04 0.00 -1.57 0.00 0.00 52.86 53.78 2ixl s ASN 107 Cb 0.00 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.25 38.58 2ixl s ASN 107 CO 0.00 -1.84 -0.03 0.42 -2.57 0.00 0.00 177.10 173.08 2ixl s THR 108 N -1.61 1.08 -0.11 1.60 -4.23 -1.26 -1.07 115.64 110.04 2ixl s THR 108 Ca 0.78 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.08 2ixl s THR 108 Cb -0.32 -2.23 0.04 0.00 1.34 0.00 0.00 72.50 71.33 2ixl s THR 108 CO 0.37 -0.42 0.43 -0.47 -0.54 0.00 0.00 174.62 173.99 2ixl s TYR 109 N -3.39 -0.42 0.01 3.99 5.04 -0.83 -4.88 117.35 116.87 2ixl s TYR 109 Ca 0.26 0.92 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 2ixl s TYR 109 Cb 0.05 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.52 2ixl s TYR 109 CO 0.07 -0.32 -0.02 -0.65 -1.34 0.00 0.00 175.55 173.28 2ixl s GLN 110 N -0.38 0.19 0.05 4.97 -0.21 -1.26 -1.27 119.66 121.75 2ixl s GLN 110 Ca -0.05 -0.23 -0.27 0.00 0.02 0.00 0.00 55.36 54.83 2ixl s GLN 110 Cb -0.03 -0.08 0.08 0.00 1.00 0.00 0.00 33.01 33.97 2ixl s GLN 110 CO 0.03 0.02 0.69 -0.08 -2.12 0.00 0.00 175.29 173.82 2ixl s THR 111 N -0.44 0.00 0.03 -0.19 -1.32 -0.82 -5.01 115.64 107.89 2ixl s THR 111 Ca -0.04 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.14 2ixl s THR 111 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2ixl s THR 111 CO -0.00 0.00 1.05 -0.69 -2.21 0.00 0.00 174.62 172.76 2ixl s VAL 112 N -2.65 4.58 -0.20 5.08 1.01 -1.26 -0.92 120.40 126.04 2ixl s VAL 112 Ca -0.03 1.87 -0.04 0.00 0.00 0.00 0.00 61.98 63.79 2ixl s VAL 112 Cb -0.01 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2ixl s VAL 112 CO -0.04 0.16 -0.04 -0.63 0.00 0.00 0.00 175.10 174.55 2ixl s ILE 113 N 0.94 3.52 0.11 2.22 1.01 -0.15 -4.92 121.20 123.93 2ixl s ILE 113 Ca 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2ixl s ILE 113 Cb -0.24 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 2ixl s ILE 113 CO 0.29 0.44 0.01 -0.90 0.00 0.00 0.00 174.94 174.78 2ixl n ASP 114 N 4.47 1.82 0.30 3.58 5.68 -1.26 -1.65 116.55 129.49 2ixl n ASP 114 Ca -0.18 -1.51 0.21 0.00 -0.50 0.00 0.00 54.79 52.81 2ixl n ASP 114 Cb 0.51 0.14 1.08 0.00 -1.14 0.00 0.00 41.12 41.71 2ixl n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ixl h ALA 115 N 1.10 1.00 -0.14 2.12 0.00 -1.78 -2.40 119.26 119.16 2ixl h ALA 115 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ixl h ALA 115 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ixl h ALA 115 CO 0.14 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 2ixl n SER 116 N -2.94 1.60 -4.06 0.00 3.41 -1.26 -4.82 113.62 105.55 2ixl n SER 116 Ca -0.02 -1.66 -0.18 0.00 -0.26 0.00 0.00 58.87 56.75 2ixl n SER 116 Cb 0.08 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2ixl n SER 116 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ixl s LYS 117 N -1.83 0.72 0.10 4.33 2.20 -0.90 -1.19 119.74 123.18 2ixl s LYS 117 Ca 0.33 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2ixl s LYS 117 Cb 0.18 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 2ixl s LYS 117 CO 0.27 0.17 -0.01 -1.54 -0.36 0.00 0.00 175.35 173.88 2ixl s SER 118 N -0.68 0.76 -0.03 1.43 1.04 -0.86 -4.43 113.70 110.92 2ixl s SER 118 Ca 0.01 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.36 2ixl s SER 118 Cb -0.06 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2ixl s SER 118 CO 0.00 -0.59 -0.03 -0.63 0.98 0.00 0.00 173.24 172.98 2ixl s ILE 119 N -3.82 0.39 -0.22 -1.02 -1.09 -0.42 -1.02 121.20 114.00 2ixl s ILE 119 Ca 0.15 -0.07 -0.16 0.00 -2.23 0.00 0.00 60.65 58.35 2ixl s ILE 119 Cb 0.07 -0.42 -0.04 0.00 -1.58 0.00 0.00 42.46 40.49 2ixl s ILE 119 CO -0.03 0.18 0.39 0.12 -1.23 0.00 0.00 174.94 174.36 2ixl s PHE 120 N 0.76 3.33 -0.29 3.97 5.36 -0.07 -0.72 117.98 130.32 2ixl s PHE 120 Ca -0.09 0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 56.43 2ixl s PHE 120 Cb -0.12 -2.54 0.05 0.00 -0.34 0.00 0.00 43.02 40.07 2ixl s PHE 120 CO -0.00 -0.08 -0.03 0.08 -1.46 0.00 0.00 175.22 173.73 2ixl s VAL 121 N 1.56 2.77 0.62 3.12 1.01 0.34 -2.25 120.40 127.57 2ixl s VAL 121 Ca 0.18 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 2ixl s VAL 121 Cb -0.15 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2ixl s VAL 121 CO 0.08 -0.09 1.12 -2.16 0.00 0.00 0.00 175.10 174.06 2ixl s PRO 122 N 1.21 3.00 0.16 2.72 0.04 -1.26 -1.61 135.00 139.26 2ixl s PRO 122 Ca -0.06 1.49 -0.34 0.00 0.04 0.00 0.00 61.00 62.13 2ixl s PRO 122 Cb -0.20 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 2ixl s PRO 122 CO -0.02 -1.11 1.35 -2.13 0.04 0.00 0.00 177.00 175.12 2ixl n ARG 123 N -1.99 1.53 0.00 4.56 0.63 -1.25 -2.48 116.66 117.66 2ixl n ARG 123 Ca 0.11 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 2ixl n ARG 123 Cb 0.51 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.25 2ixl n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ixl n GLY 124 N 2.46 1.28 3.55 5.14 0.00 -1.16 -4.96 105.19 111.51 2ixl n GLY 124 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2ixl n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ixl s VAL 125 N -2.21 5.02 0.31 1.61 1.01 -1.04 -1.63 120.40 123.47 2ixl s VAL 125 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 2ixl s VAL 125 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 2ixl s VAL 125 CO 0.00 0.28 1.23 0.00 0.00 0.00 0.00 175.10 176.61 2ixl s ALA 126 N 1.67 3.46 -0.01 5.51 0.00 0.04 -4.57 121.76 127.86 2ixl s ALA 126 Ca 0.07 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2ixl s ALA 126 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2ixl s ALA 126 CO 0.08 -0.45 -0.25 1.21 0.00 0.00 0.00 175.76 176.35 2ixl s ASN 127 N -0.61 3.16 0.26 0.00 2.47 -0.21 -2.28 114.94 117.73 2ixl s ASN 127 Ca 0.47 -0.47 -0.21 0.00 0.42 0.00 0.00 52.86 53.08 2ixl s ASN 127 Cb -0.37 -0.38 0.03 0.00 -1.45 0.00 0.00 41.25 39.08 2ixl s ASN 127 CO 0.48 0.31 0.67 -0.83 -3.72 0.00 0.00 177.10 174.02 2ixl s GLY 128 N -0.73 -0.13 0.13 1.21 0.00 -0.59 -1.75 107.32 105.46 2ixl s GLY 128 Ca 0.10 -0.23 -0.23 0.00 0.00 0.00 0.00 44.72 44.37 2ixl s GLY 128 CO -0.00 -0.10 0.59 -0.11 0.00 0.00 0.00 173.10 173.48 2ixl s PHE 129 N -3.90 -0.53 -0.09 1.90 -0.12 -0.09 -1.71 117.98 113.45 2ixl s PHE 129 Ca 0.10 0.39 0.03 0.00 -0.05 0.00 0.00 56.93 57.41 2ixl s PHE 129 Cb -0.05 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 2ixl s PHE 129 CO 0.04 -0.81 -0.20 -1.14 -0.05 0.00 0.00 175.22 173.06 2ixl s GLN 130 N -3.43 2.62 -0.05 1.99 0.74 -0.85 -1.30 119.66 119.38 2ixl s GLN 130 Ca -0.00 -0.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 2ixl s GLN 130 Cb -0.01 -2.02 -0.03 0.00 1.10 0.00 0.00 33.01 32.06 2ixl s GLN 130 CO -0.10 0.13 1.10 0.08 -0.55 0.00 0.00 175.29 175.96 2ixl s VAL 131 N 0.44 4.50 -0.18 1.34 1.01 -0.28 -0.96 120.40 126.27 2ixl s VAL 131 Ca -0.17 1.79 0.18 0.00 0.00 0.00 0.00 61.98 63.78 2ixl s VAL 131 Cb -0.17 -4.15 -0.26 0.00 0.00 0.00 0.00 36.38 31.80 2ixl s VAL 131 CO 0.07 0.03 0.11 0.18 0.00 0.00 0.00 175.10 175.50 2ixl n LEU 132 N 4.82 0.00 -4.97 3.92 4.77 -0.40 -2.58 117.00 122.57 2ixl n LEU 132 Ca 0.09 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.81 2ixl n LEU 132 Cb 0.48 0.44 0.14 0.00 -2.33 0.00 0.00 43.42 42.15 2ixl n LEU 132 CO 0.54 0.44 0.69 -0.94 -1.33 0.00 0.00 177.39 176.78 2ixl s SER 133 N -5.34 3.79 0.30 -1.43 1.04 -1.17 -4.93 113.70 105.96 2ixl s SER 133 Ca -0.10 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.20 2ixl s SER 133 Cb 0.07 -0.04 0.49 0.00 0.10 0.00 0.00 66.02 66.64 2ixl s SER 133 CO 0.82 -2.26 1.79 0.44 0.98 0.00 0.00 173.24 175.02 2ixl h ASP 134 N -1.00 0.50 -5.18 7.02 3.32 -1.94 -3.33 116.42 115.83 2ixl h ASP 134 Ca -0.39 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 2ixl h ASP 134 Cb 1.25 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.58 2ixl h ASP 134 CO 0.38 0.66 -0.05 0.72 -1.72 0.00 0.00 179.24 179.23 2ixl s PHE 135 N -4.73 0.19 -0.10 4.55 -0.12 -1.26 -1.02 117.98 115.49 2ixl s PHE 135 Ca -0.07 -0.56 -0.19 0.00 -0.05 0.00 0.00 56.93 56.05 2ixl s PHE 135 Cb 0.15 0.30 0.04 0.00 -0.63 0.00 0.00 43.02 42.88 2ixl s PHE 135 CO 0.78 -1.00 0.48 0.54 -0.05 0.00 0.00 175.22 175.96 2ixl s VAL 136 N -3.97 0.02 -0.34 -2.49 0.11 -0.49 -4.35 120.40 108.88 2ixl s VAL 136 Ca 0.18 -0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 2ixl s VAL 136 Cb -0.01 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2ixl s VAL 136 CO 0.06 -0.08 0.17 0.00 -3.33 0.00 0.00 175.10 171.92 2ixl s ALA 137 N -0.57 3.24 -0.31 1.54 0.00 -1.26 -1.51 121.76 122.88 2ixl s ALA 137 Ca -0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.24 2ixl s ALA 137 Cb -0.03 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.66 2ixl s ALA 137 CO 0.04 -1.18 0.08 -0.47 0.00 0.00 0.00 175.76 174.22 2ixl s TYR 138 N 1.55 3.19 -0.10 0.00 5.04 0.12 -0.87 117.35 126.29 2ixl s TYR 138 Ca 0.03 -1.22 0.04 0.00 -2.44 0.00 0.00 57.07 53.47 2ixl s TYR 138 Cb -0.18 -2.25 -0.01 0.00 0.35 0.00 0.00 41.96 39.87 2ixl s TYR 138 CO 0.06 -0.66 -0.22 0.45 -1.34 0.00 0.00 175.55 173.84 2ixl s SER 139 N 1.44 3.28 0.03 4.32 0.15 -0.37 -1.18 113.70 121.38 2ixl s SER 139 Ca 0.00 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 2ixl s SER 139 Cb -0.18 -1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 2ixl s SER 139 CO 0.02 0.18 0.05 -0.72 1.20 0.00 0.00 173.24 173.97 2ixl s TYR 140 N 0.23 0.26 -0.10 3.44 -0.85 -0.40 -1.77 117.35 118.15 2ixl s TYR 140 Ca -0.14 -0.59 -0.02 0.00 -0.52 0.00 0.00 57.07 55.81 2ixl s TYR 140 Cb -0.17 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 41.95 2ixl s TYR 140 CO 0.07 -0.33 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.24 2ixl s LEU 141 N -2.08 3.36 0.16 -3.49 1.43 -0.38 -1.06 118.68 116.62 2ixl s LEU 141 Ca -0.06 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2ixl s LEU 141 Cb -0.02 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 2ixl s LEU 141 CO -0.04 0.30 -0.08 0.68 0.23 0.00 0.00 176.35 177.44 2ixl s VAL 142 N -0.44 1.11 -0.22 -1.59 -7.23 -0.06 -1.25 120.40 110.71 2ixl s VAL 142 Ca 0.07 -2.05 0.11 0.00 -1.81 0.00 0.00 61.98 58.31 2ixl s VAL 142 Cb -0.12 -1.91 0.43 0.00 0.56 0.00 0.00 36.38 35.34 2ixl s VAL 142 CO 0.02 -0.69 1.28 -0.46 -0.31 0.00 0.00 175.10 174.94 2ixl n ASN 143 N -0.22 2.03 -3.84 4.85 6.94 -1.24 -2.04 115.26 121.74 2ixl n ASN 143 Ca -0.10 -3.77 -0.09 0.00 -0.02 0.00 0.00 54.58 50.61 2ixl n ASN 143 Cb 0.61 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 2ixl n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ixl s ASP 144 N -2.99 -0.18 -0.00 0.53 -1.08 -1.26 -4.64 116.67 107.05 2ixl s ASP 144 Ca 0.39 -0.65 0.01 0.00 -0.52 0.00 0.00 52.55 51.79 2ixl s ASP 144 Cb 0.37 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 42.36 2ixl s ASP 144 CO -0.04 -1.07 0.01 -0.31 0.52 0.00 0.00 175.17 174.28 2ixl s TYR 145 N -3.92 3.10 0.21 -5.34 4.12 -1.26 -4.82 117.35 109.44 2ixl s TYR 145 Ca 0.13 0.10 -0.32 0.00 0.02 0.00 0.00 57.07 57.00 2ixl s TYR 145 Cb -0.01 -1.68 -0.13 0.00 -1.52 0.00 0.00 41.96 38.62 2ixl s TYR 145 CO 0.01 0.47 1.55 1.87 0.02 0.00 0.00 175.55 179.48 2ixl n TRP 146 N 1.36 2.39 -3.68 2.71 -0.00 -1.26 -4.99 117.44 113.97 2ixl n TRP 146 Ca -0.14 0.28 -0.14 0.00 -0.00 0.00 0.00 57.50 57.50 2ixl n TRP 146 Cb 0.53 -2.55 -0.08 0.00 -0.00 0.00 0.00 31.31 29.21 2ixl n TRP 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2ixl s ALA 147 N 0.55 -1.31 0.38 5.87 0.00 -1.26 -5.04 121.76 120.95 2ixl s ALA 147 Ca 0.73 1.31 0.08 0.00 0.00 0.00 0.00 51.96 54.08 2ixl s ALA 147 Cb -0.62 -0.61 0.82 0.00 0.00 0.00 0.00 23.12 22.70 2ixl s ALA 147 CO 0.42 -0.27 1.94 -0.07 0.00 0.00 0.00 175.76 177.78 2ixl h LEU 148 N 4.76 0.60 -1.42 0.00 3.38 -2.03 -2.07 115.31 118.54 2ixl h LEU 148 Ca -0.28 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2ixl h LEU 148 Cb 1.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2ixl h LEU 148 CO 0.23 0.37 0.00 1.05 0.09 0.00 0.00 178.44 180.18 2ixl h GLU 149 N 0.67 0.00 0.00 1.13 4.11 -1.99 -2.19 114.58 116.31 2ixl h GLU 149 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 2ixl h GLU 149 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2ixl h GLU 149 CO -0.12 0.00 -0.59 1.28 0.07 0.00 0.00 179.01 179.66 2ixl n LEU 150 N -2.66 0.56 -0.31 3.06 4.77 -0.78 -4.48 117.00 117.16 2ixl n LEU 150 Ca 0.00 0.05 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 2ixl n LEU 150 Cb 0.20 -0.22 0.26 0.00 -2.33 0.00 0.00 43.42 41.33 2ixl n LEU 150 CO 0.21 0.08 1.24 0.11 -1.33 0.00 0.00 177.39 177.70 2ixl h LYS 151 N 0.00 0.95 0.00 3.23 1.79 -1.43 -0.65 116.57 120.46 2ixl h LYS 151 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2ixl h LYS 151 Cb 0.58 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2ixl h LYS 151 CO 0.00 0.63 0.00 -2.30 -1.08 0.00 0.00 179.45 176.70 2ixl n PRO 152 N -4.52 0.08 0.00 3.15 -0.02 -1.26 -2.30 135.00 130.12 2ixl n PRO 152 Ca 0.15 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 2ixl n PRO 152 Cb 0.26 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.36 2ixl n PRO 152 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ixl n LYS 153 N -1.38 2.12 -2.21 -0.52 5.02 -0.25 -4.94 118.16 116.00 2ixl n LYS 153 Ca 0.04 -1.72 -0.32 0.00 -2.02 0.00 0.00 58.31 54.28 2ixl n LYS 153 Cb 0.09 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 2ixl n LYS 153 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2ixl s TYR 154 N -2.07 3.43 0.05 2.13 1.51 -0.97 -4.44 117.35 116.99 2ixl s TYR 154 Ca 0.27 1.43 0.02 0.00 -1.01 0.00 0.00 57.07 57.78 2ixl s TYR 154 Cb 0.20 -2.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.22 2ixl s TYR 154 CO 0.34 -0.56 -0.07 0.00 -1.11 0.00 0.00 175.55 174.16 2ixl s ALA 155 N -2.75 0.59 0.04 3.71 0.00 -0.87 -5.03 121.76 117.46 2ixl s ALA 155 Ca 0.58 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2ixl s ALA 155 Cb -0.11 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2ixl s ALA 155 CO 0.38 -0.10 -0.05 -0.06 0.00 0.00 0.00 175.76 175.93 2ixl s PHE 156 N -1.95 0.51 -0.02 0.00 0.40 -1.26 -0.36 117.98 115.30 2ixl s PHE 156 Ca -0.06 -0.66 -0.02 0.00 -0.60 0.00 0.00 56.93 55.59 2ixl s PHE 156 Cb -0.06 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.14 2ixl s PHE 156 CO -0.01 -0.18 0.05 0.54 0.70 0.00 0.00 175.22 176.31 2ixl s VAL 157 N -2.13 0.01 0.12 -0.44 0.11 -0.72 -4.53 120.40 112.82 2ixl s VAL 157 Ca -0.07 -0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.58 2ixl s VAL 157 Cb -0.05 -0.11 -0.09 0.00 -1.53 0.00 0.00 36.38 34.60 2ixl s VAL 157 CO -0.03 -0.05 1.66 0.21 -3.33 0.00 0.00 175.10 173.57 2ixl s ASN 158 N -0.13 6.55 0.55 3.54 3.84 -0.02 -2.50 114.94 126.77 2ixl s ASN 158 Ca -0.02 2.60 0.25 0.00 0.21 0.00 0.00 52.86 55.90 2ixl s ASN 158 Cb -0.01 -2.58 1.48 0.00 -0.55 0.00 0.00 41.25 39.59 2ixl s ASN 158 CO 0.00 -0.90 2.07 0.10 -2.79 0.00 0.00 177.10 175.58 2ixl h TYR 159 N 7.82 0.00 -0.59 0.43 -0.00 -1.80 -2.75 116.97 120.08 2ixl h TYR 159 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 2ixl h TYR 159 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 2ixl h TYR 159 CO 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.89 2ixl n ALA 160 N -2.49 2.31 -1.76 0.10 0.00 -1.26 -4.90 120.51 112.50 2ixl n ALA 160 Ca 0.04 -1.25 -0.43 0.00 0.00 0.00 0.00 53.44 51.80 2ixl n ALA 160 Cb 0.39 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 2ixl n ALA 160 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ixl s ASP 161 N -1.00 5.60 0.09 0.00 -1.08 -1.04 -4.85 116.67 114.38 2ixl s ASP 161 Ca 0.39 1.63 0.19 0.00 -0.52 0.00 0.00 52.55 54.25 2ixl s ASP 161 Cb 0.21 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.94 2ixl s ASP 161 CO 0.26 -1.89 1.59 -0.81 0.52 0.00 0.00 175.17 174.85 2ixl n PRO 162 N 8.64 0.07 0.08 4.34 -0.04 -1.26 -1.78 135.00 145.05 2ixl n PRO 162 Ca 0.27 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2ixl n PRO 162 Cb 0.46 -1.63 0.46 0.00 -0.04 0.00 0.00 33.50 32.75 2ixl n PRO 162 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ixl n SER 163 N -1.76 0.59 -4.77 3.54 3.41 -1.26 -4.82 113.62 108.55 2ixl n SER 163 Ca 0.03 0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 58.81 2ixl n SER 163 Cb 0.21 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 2ixl n SER 163 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ixl s LEU 164 N -4.14 4.45 -1.53 1.04 1.43 -0.74 -4.90 118.68 114.30 2ixl s LEU 164 Ca 0.10 2.61 -0.10 0.00 -1.03 0.00 0.00 54.13 55.71 2ixl s LEU 164 Cb 0.13 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 2ixl s LEU 164 CO 0.54 -0.46 2.69 -0.67 0.23 0.00 0.00 176.35 178.67 2ixl n ASP 165 N 0.90 7.65 -4.02 2.29 2.03 -1.26 -4.84 116.55 119.30 2ixl n ASP 165 Ca -0.00 -2.75 -0.08 0.00 0.52 0.00 0.00 54.79 52.49 2ixl n ASP 165 Cb 0.42 -1.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.20 2ixl n ASP 165 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2ixl s ILE 166 N 1.65 0.19 -0.04 5.18 -4.36 -1.26 -4.81 121.20 117.74 2ixl s ILE 166 Ca 0.62 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 2ixl s ILE 166 Cb 0.17 -1.50 0.03 0.00 1.25 0.00 0.00 42.46 42.40 2ixl s ILE 166 CO -0.07 -0.85 -0.00 -0.54 0.24 0.00 0.00 174.94 173.72 2ixl s LYS 167 N -3.91 0.40 0.19 0.37 -0.14 -1.26 -5.08 119.74 110.31 2ixl s LYS 167 Ca 0.08 0.08 -0.08 0.00 -1.36 0.00 0.00 55.97 54.69 2ixl s LYS 167 Cb 0.07 -0.62 -0.07 0.00 -1.68 0.00 0.00 37.83 35.54 2ixl s LYS 167 CO -0.09 -0.17 0.48 -1.58 -0.76 0.00 0.00 175.35 173.23 2ixl s TRP 168 N 1.25 3.45 0.14 3.18 0.52 -1.26 -5.03 118.94 121.19 2ixl s TRP 168 Ca -0.06 0.75 -0.10 0.00 0.02 0.00 0.00 56.10 56.70 2ixl s TRP 168 Cb -0.13 -2.16 -0.05 0.00 -1.15 0.00 0.00 33.47 29.97 2ixl s TRP 168 CO -0.02 0.34 1.43 0.93 0.02 0.00 0.00 176.95 179.65 2ixl h GLU 169 N 2.70 0.86 0.00 4.98 5.08 -1.99 -3.37 114.58 122.84 2ixl h GLU 169 Ca -0.47 -0.52 -0.07 0.00 -1.00 0.00 0.00 59.36 57.30 2ixl h GLU 169 Cb 1.17 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 2ixl h GLU 169 CO 0.70 1.16 -0.62 0.09 -1.00 0.00 0.00 179.01 179.35 2ixl n ASN 170 N -4.01 1.14 -0.10 1.42 4.13 -1.26 -4.98 115.26 111.60 2ixl n ASN 170 Ca -0.04 -2.63 0.05 0.00 1.68 0.00 0.00 54.58 53.65 2ixl n ASN 170 Cb 0.61 -0.35 0.10 0.00 -1.54 0.00 0.00 39.78 38.60 2ixl n ASN 170 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2ixl n LEU 171 N -0.31 -0.01 -0.34 3.41 0.00 -1.26 0.79 117.00 119.27 2ixl n LEU 171 Ca 0.09 0.51 0.07 0.00 0.00 0.00 0.00 56.01 56.68 2ixl n LEU 171 Cb 0.85 -0.20 0.23 0.00 0.00 0.00 0.00 43.42 44.30 2ixl n LEU 171 CO -0.02 -0.53 1.20 -0.08 0.00 0.00 0.00 177.39 177.96 2ixl h GLU 172 N 0.00 0.89 -0.62 1.96 4.81 -1.96 -2.82 114.58 116.85 2ixl h GLU 172 Ca 0.19 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2ixl h GLU 172 Cb 0.42 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2ixl h GLU 172 CO -0.28 0.59 0.00 0.39 -0.73 0.00 0.00 179.01 178.98 2ixl n GLU 173 N -4.67 2.61 -1.74 1.92 1.02 0.24 -5.01 120.64 115.01 2ixl n GLU 173 Ca 0.18 -2.48 -0.42 0.00 -0.02 0.00 0.00 57.16 54.42 2ixl n GLU 173 Cb 0.36 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 2ixl n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ixl n ALA 174 N 1.56 2.54 -2.80 0.62 0.00 -1.07 -4.89 120.51 116.47 2ixl n ALA 174 Ca 0.23 0.38 -0.44 0.00 0.00 0.00 0.00 53.44 53.60 2ixl n ALA 174 Cb 0.60 -2.47 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 2ixl n ALA 174 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ixl s GLU 175 N -0.26 2.96 0.02 0.00 0.41 -0.13 -4.95 118.70 116.75 2ixl s GLU 175 Ca 0.66 -1.28 0.06 0.00 -0.41 0.00 0.00 54.97 53.99 2ixl s GLU 175 Cb -0.50 -4.08 -0.02 0.00 -1.78 0.00 0.00 34.13 27.74 2ixl s GLU 175 CO 0.46 -0.96 -0.18 0.08 -0.49 0.00 0.00 175.26 174.17 2ixl s VAL 176 N 1.64 1.44 0.85 2.63 1.01 -1.26 -1.61 120.40 125.09 2ixl s VAL 176 Ca 0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 2ixl s VAL 176 Cb -0.23 -1.24 0.11 0.00 0.00 0.00 0.00 36.38 35.02 2ixl s VAL 176 CO 0.07 0.25 1.13 -0.94 0.00 0.00 0.00 175.10 175.62 2ixl s SER 177 N -0.82 3.56 0.20 3.32 1.04 -1.26 -4.92 113.70 114.81 2ixl s SER 177 Ca 0.06 2.07 -0.09 0.00 0.48 0.00 0.00 55.95 58.47 2ixl s SER 177 Cb -0.08 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.60 2ixl s SER 177 CO 0.01 -2.67 1.71 -0.33 0.98 0.00 0.00 173.24 172.94 2ixl h GLU 178 N -1.51 1.12 -0.37 4.02 5.08 -2.00 -2.64 114.58 118.28 2ixl h GLU 178 Ca -0.43 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 57.70 2ixl h GLU 178 Cb 1.26 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 2ixl h GLU 178 CO 0.45 0.99 0.15 0.00 -1.00 0.00 0.00 179.01 179.60 2ixl h ALA 179 N 1.09 0.44 0.00 3.43 0.00 -1.99 -2.54 119.26 119.68 2ixl h ALA 179 Ca 0.22 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2ixl h ALA 179 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2ixl h ALA 179 CO 0.00 -0.24 -0.19 -0.44 0.00 0.00 0.00 179.25 178.39 2ixl h ASP 180 N 0.31 0.00 0.46 0.00 3.32 -1.85 -1.67 116.42 117.00 2ixl h ASP 180 Ca 0.17 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2ixl h ASP 180 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2ixl h ASP 180 CO -0.15 0.19 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.01 2ixl h GLU 181 N 0.00 0.00 -0.03 3.56 4.39 -1.08 -3.29 114.58 118.13 2ixl h GLU 181 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ixl h GLU 181 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2ixl h GLU 181 CO 0.02 0.22 -0.07 0.09 -1.16 0.00 0.00 179.01 178.11 2ixl n ASN 182 N -3.75 2.68 -4.73 1.42 3.02 -0.63 -4.99 115.26 108.26 2ixl n ASN 182 Ca -0.01 -1.84 -0.35 0.00 -0.03 0.00 0.00 54.58 52.34 2ixl n ASN 182 Cb 0.32 0.08 0.07 0.00 -0.61 0.00 0.00 39.78 39.64 2ixl n ASN 182 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2ixl s HIS 183 N -1.91 2.17 0.64 3.10 3.76 -1.19 -4.97 115.29 116.89 2ixl s HIS 183 Ca 0.24 1.54 -0.16 0.00 -0.15 0.00 0.00 55.06 56.53 2ixl s HIS 183 Cb 0.18 -3.53 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 2ixl s HIS 183 CO 0.32 -2.57 1.15 -2.14 -0.85 0.00 0.00 174.74 170.64 2ixl s PRO 184 N -3.59 2.80 0.76 8.40 0.02 -1.26 -4.18 135.00 137.94 2ixl s PRO 184 Ca 0.78 1.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 2ixl s PRO 184 Cb -0.32 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.31 2ixl s PRO 184 CO 0.40 -1.28 1.08 -0.06 -0.33 0.00 0.00 177.00 176.80 2ixl s PHE 185 N -2.04 2.84 0.31 6.54 0.40 -1.26 -0.84 117.98 123.92 2ixl s PHE 185 Ca 0.71 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 58.43 2ixl s PHE 185 Cb -0.24 -3.00 0.51 0.00 0.51 0.00 0.00 43.02 40.80 2ixl s PHE 185 CO 0.38 -1.60 1.94 1.25 0.70 0.00 0.00 175.22 177.88 2ixl h LEU 186 N -0.98 0.90 -1.98 -0.37 5.85 -1.93 -0.67 115.31 116.13 2ixl h LEU 186 Ca -0.45 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.45 2ixl h LEU 186 Cb 1.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2ixl h LEU 186 CO 0.56 0.61 0.52 0.50 -0.34 0.00 0.00 178.44 180.28 2ixl h LYS 187 N 1.04 0.00 -0.35 1.25 3.64 -2.02 -2.14 116.57 117.99 2ixl h LYS 187 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2ixl h LYS 187 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2ixl h LYS 187 CO -0.11 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.82 2ixl n ASP 188 N -4.09 3.39 -4.69 4.20 8.00 -0.26 -4.92 116.55 118.19 2ixl n ASP 188 Ca 0.13 -1.98 -0.39 0.00 0.71 0.00 0.00 54.79 53.26 2ixl n ASP 188 Cb 0.76 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 2ixl n ASP 188 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ixl s VAL 189 N -1.50 5.15 -0.20 2.53 1.01 -0.81 -4.97 120.40 121.61 2ixl s VAL 189 Ca 0.37 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.02 2ixl s VAL 189 Cb 0.22 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2ixl s VAL 189 CO 0.31 0.25 0.98 -0.75 0.00 0.00 0.00 175.10 175.89 2ixl s LYS 190 N 1.13 4.29 0.36 2.72 2.20 -1.26 -5.01 119.74 124.17 2ixl s LYS 190 Ca 0.25 1.27 -0.28 0.00 -0.36 0.00 0.00 55.97 56.86 2ixl s LYS 190 Cb -0.15 -3.61 -0.12 0.00 -1.51 0.00 0.00 37.83 32.44 2ixl s LYS 190 CO 0.10 -0.51 1.32 -2.30 -0.36 0.00 0.00 175.35 173.60 2ixl n PRO 191 N 5.86 2.18 -2.79 4.03 -0.02 -1.26 -4.95 135.00 138.05 2ixl n PRO 191 Ca 0.10 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 2ixl n PRO 191 Cb 0.47 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 2ixl n PRO 191 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ixl s LEU 192 N -1.32 4.39 0.43 2.45 1.43 -0.26 -4.61 118.68 121.18 2ixl s LEU 192 Ca 0.56 1.58 -0.21 0.00 -1.03 0.00 0.00 54.13 55.03 2ixl s LEU 192 Cb -0.54 -3.46 -0.10 0.00 0.03 0.00 0.00 46.19 42.12 2ixl s LEU 192 CO 0.62 -0.18 0.98 -0.13 0.23 0.00 0.00 176.35 177.86 2ixl s ARG 193 N 0.73 4.15 0.14 1.70 0.52 -1.26 -0.30 118.95 124.64 2ixl s ARG 193 Ca 0.48 1.21 0.18 0.00 -0.52 0.00 0.00 55.73 57.08 2ixl s ARG 193 Cb -0.21 -2.22 0.79 0.00 0.52 0.00 0.00 34.95 33.83 2ixl s ARG 193 CO 0.26 -0.11 1.57 0.36 0.02 0.00 0.00 175.30 177.40 2ixl n LYS 194 N -0.60 0.10 -0.02 3.54 -0.00 -1.26 -0.51 118.16 119.41 2ixl n LYS 194 Ca 0.07 0.37 -0.11 0.00 -0.00 0.00 0.00 58.31 58.64 2ixl n LYS 194 Cb 0.53 -1.70 -0.09 0.00 -0.00 0.00 0.00 35.03 33.77 2ixl n LYS 194 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2ixl h GLU 195 N 0.00 -0.07 -2.27 -1.58 4.11 -2.03 -3.39 114.58 109.36 2ixl h GLU 195 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.85 2ixl h GLU 195 Cb 0.28 0.02 -0.42 0.00 0.50 0.00 0.00 28.75 29.13 2ixl h GLU 195 CO 0.00 0.52 -0.64 -3.47 0.07 0.00 0.00 179.01 175.49 2ixl n ASP 196 N -4.77 4.28 -0.69 3.06 2.03 -0.93 -5.24 116.55 114.29 2ixl n ASP 196 Ca -0.07 -3.63 0.13 0.00 0.52 0.00 0.00 54.79 51.74 2ixl n ASP 196 Cb 0.31 -0.58 0.34 0.00 -0.72 0.00 0.00 41.12 40.46 2ixl n ASP 196 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28