#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyb s VAL -2 N 0.00 4.90 -0.23 -3.48 1.01 -1.26 -5.03 120.40 116.30 1iyb s VAL -2 Ca 0.00 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1iyb s VAL -2 Cb 0.00 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1iyb s VAL -2 CO 0.00 0.12 0.18 -0.70 0.00 0.00 0.00 175.10 174.70 1iyb s GLU -1 N 1.40 4.09 -0.12 2.72 2.12 -1.26 -5.08 118.70 122.57 1iyb s GLU -1 Ca 0.45 -0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 1iyb s GLU -1 Cb -0.19 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1iyb s GLU -1 CO 0.20 0.07 0.07 -0.06 -0.54 0.00 0.00 175.26 175.00 1iyb s PHE 0 N 1.03 3.36 0.52 5.30 0.40 -1.26 -5.10 117.98 122.22 1iyb s PHE 0 Ca 0.08 0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 56.59 1iyb s PHE 0 Cb -0.13 -1.91 -0.06 0.00 0.51 0.00 0.00 43.02 41.42 1iyb s PHE 0 CO 0.04 0.51 0.94 0.00 0.70 0.00 0.00 175.22 177.41 1iyb s ALA 1 N -0.66 3.16 0.32 5.36 0.00 -1.26 -5.01 121.76 123.66 1iyb s ALA 1 Ca 0.12 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 1iyb s ALA 1 Cb -0.12 -2.99 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 1iyb s ALA 1 CO 0.02 -0.32 1.45 -0.65 0.00 0.00 0.00 175.76 176.26 1iyb s GLN 2 N -4.36 4.21 -0.07 0.00 -0.21 -1.26 -4.91 119.66 113.06 1iyb s GLN 2 Ca 0.55 2.42 0.11 0.00 0.02 0.00 0.00 55.36 58.46 1iyb s GLN 2 Cb -0.10 -3.04 0.43 0.00 1.00 0.00 0.00 33.01 31.30 1iyb s GLN 2 CO 0.38 -0.43 1.27 -0.40 -2.12 0.00 0.00 175.29 173.99 1iyb n ASP 3 N 1.24 3.02 -3.77 5.90 5.68 -1.26 -4.92 116.55 122.45 1iyb n ASP 3 Ca 0.03 -2.27 -0.10 0.00 -0.50 0.00 0.00 54.79 51.96 1iyb n ASP 3 Cb 0.40 -0.45 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 1iyb n ASP 3 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1iyb s PHE 4 N -1.72 -0.03 -0.24 2.11 -0.12 -1.26 -4.63 117.98 112.09 1iyb s PHE 4 Ca 0.30 -0.32 -0.05 0.00 -0.05 0.00 0.00 56.93 56.82 1iyb s PHE 4 Cb 0.20 0.29 -0.13 0.00 -0.63 0.00 0.00 43.02 42.74 1iyb s PHE 4 CO 0.14 -0.85 -0.26 -0.25 -0.05 0.00 0.00 175.22 173.95 1iyb n ASP 5 N -0.30 1.99 -3.27 1.98 10.43 -0.15 -4.99 116.55 122.25 1iyb n ASP 5 Ca -0.10 0.08 -0.13 0.00 2.57 0.00 0.00 54.79 57.20 1iyb n ASP 5 Cb 0.63 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 1iyb n ASP 5 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1iyb s PHE 6 N -2.46 0.82 0.11 1.24 -0.12 -0.74 -2.86 117.98 113.97 1iyb s PHE 6 Ca -0.33 -1.15 0.09 0.00 -0.05 0.00 0.00 56.93 55.50 1iyb s PHE 6 Cb 0.10 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1iyb s PHE 6 CO 0.49 -1.20 -0.20 -0.06 -0.05 0.00 0.00 175.22 174.20 1iyb s PHE 7 N -3.02 2.50 -0.22 3.49 0.40 0.06 0.03 117.98 121.20 1iyb s PHE 7 Ca 0.27 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.25 1iyb s PHE 7 Cb -0.01 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1iyb s PHE 7 CO 0.17 0.36 0.05 0.71 0.70 0.00 0.00 175.22 177.21 1iyb s TYR 8 N -1.10 3.10 -0.39 0.36 4.12 -0.08 -1.22 117.35 122.15 1iyb s TYR 8 Ca 0.17 -0.32 -0.15 0.00 0.02 0.00 0.00 57.07 56.78 1iyb s TYR 8 Cb -0.10 -2.17 0.01 0.00 -1.52 0.00 0.00 41.96 38.17 1iyb s TYR 8 CO 0.09 -0.23 0.34 0.12 0.02 0.00 0.00 175.55 175.89 1iyb s PHE 9 N 1.22 3.21 -0.16 2.71 5.36 0.10 -0.37 117.98 130.06 1iyb s PHE 9 Ca 0.04 -0.35 -0.05 0.00 -0.96 0.00 0.00 56.93 55.62 1iyb s PHE 9 Cb -0.14 -2.67 -0.03 0.00 -0.34 0.00 0.00 43.02 39.84 1iyb s PHE 9 CO 0.03 -0.55 -0.01 0.08 -1.46 0.00 0.00 175.22 173.31 1iyb s VAL 10 N 1.88 4.08 0.03 3.12 1.01 -0.05 -1.73 120.40 128.74 1iyb s VAL 10 Ca 0.08 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.86 1iyb s VAL 10 Cb -0.18 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1iyb s VAL 10 CO 0.11 0.48 -0.25 -1.10 0.00 0.00 0.00 175.10 174.35 1iyb s GLN 11 N 0.39 1.74 0.07 2.72 -0.21 -0.84 -0.36 119.66 123.18 1iyb s GLN 11 Ca -0.02 -1.03 0.07 0.00 0.02 0.00 0.00 55.36 54.40 1iyb s GLN 11 Cb -0.14 -1.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1iyb s GLN 11 CO 0.02 0.49 -0.14 1.14 -2.12 0.00 0.00 175.29 174.68 1iyb s GLN 12 N -1.09 2.08 -0.35 2.91 -2.07 0.25 -1.33 119.66 120.05 1iyb s GLN 12 Ca 0.10 -1.01 -0.17 0.00 -1.82 0.00 0.00 55.36 52.46 1iyb s GLN 12 Cb -0.10 -2.24 -0.01 0.00 -1.09 0.00 0.00 33.01 29.57 1iyb s GLN 12 CO 0.01 0.52 0.44 -0.46 -1.32 0.00 0.00 175.29 174.49 1iyb s TRP 13 N -1.08 3.19 0.42 9.60 -0.11 -0.11 -1.06 118.94 129.79 1iyb s TRP 13 Ca 0.18 0.06 0.14 0.00 1.22 0.00 0.00 56.10 57.70 1iyb s TRP 13 Cb -0.11 -2.81 1.01 0.00 -1.50 0.00 0.00 33.47 30.07 1iyb s TRP 13 CO 0.09 -0.50 1.94 -1.00 -4.62 0.00 0.00 176.95 172.86 1iyb h PRO 14 N 8.47 0.44 0.00 5.86 0.13 -1.90 -1.26 132.00 143.74 1iyb h PRO 14 Ca -0.29 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1iyb h PRO 14 Cb 1.13 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1iyb h PRO 14 CO 0.74 0.29 -0.06 0.78 -0.23 0.00 0.00 178.00 179.52 1iyb h GLY 15 N 0.45 0.00 0.56 1.56 0.00 -1.84 -1.61 103.07 102.19 1iyb h GLY 15 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1iyb h GLY 15 CO -0.11 0.00 -1.34 1.44 0.00 0.00 0.00 176.54 176.53 1iyb n SER 16 N -3.82 0.51 0.07 0.19 7.64 -0.50 -3.48 113.62 114.22 1iyb n SER 16 Ca -0.02 0.07 -0.03 0.00 1.01 0.00 0.00 58.87 59.90 1iyb n SER 16 Cb 0.15 1.05 -0.07 0.00 -1.01 0.00 0.00 64.21 64.34 1iyb n SER 16 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1iyb h TYR 17 N 0.00 0.00 -0.16 1.43 3.20 -1.10 -3.37 116.97 116.98 1iyb h TYR 17 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iyb h TYR 17 Cb 0.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1iyb h TYR 17 CO 0.00 0.76 0.00 0.00 -1.64 0.00 0.00 178.16 177.28 1iyb n ASP 19 N 1.29 2.44 -3.20 0.00 5.75 -1.23 -4.82 116.55 116.80 1iyb n ASP 19 Ca 0.16 -3.56 -0.09 0.00 -0.01 0.00 0.00 54.79 51.29 1iyb n ASP 19 Cb 0.58 -0.55 0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1iyb n ASP 19 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1iyb n THR 20 N -1.09 0.00 0.28 2.12 -2.24 -1.26 -1.38 114.28 110.70 1iyb n THR 20 Ca 0.24 -0.78 0.16 0.00 -2.27 0.00 0.00 64.05 61.40 1iyb n THR 20 Cb 0.84 -0.90 0.56 0.00 -2.10 0.00 0.00 70.33 68.73 1iyb n THR 20 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1iyb h LYS 21 N 0.00 0.00 -6.91 -0.78 1.57 -1.85 -3.43 116.57 105.16 1iyb h LYS 21 Ca -0.12 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.17 1iyb h LYS 21 Cb 0.52 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.86 1iyb h LYS 21 CO 0.16 0.00 0.12 -0.65 -0.57 0.00 0.00 179.45 178.51 1iyb s GLN 22 N -3.54 3.61 0.38 3.15 -0.21 -1.26 -5.07 119.66 116.72 1iyb s GLN 22 Ca 0.03 0.29 -0.14 0.00 0.02 0.00 0.00 55.36 55.56 1iyb s GLN 22 Cb 0.08 -2.38 -0.08 0.00 1.00 0.00 0.00 33.01 31.64 1iyb s GLN 22 CO 0.56 -0.16 0.79 -1.54 -2.12 0.00 0.00 175.29 172.82 1iyb s SER 23 N -3.83 6.67 0.07 5.90 1.04 -1.26 -4.85 113.70 117.44 1iyb s SER 23 Ca 0.49 1.28 0.03 0.00 0.48 0.00 0.00 55.95 58.22 1iyb s SER 23 Cb -0.10 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1iyb s SER 23 CO 0.41 -0.33 -0.09 0.00 0.98 0.00 0.00 173.24 174.21 1iyb s TYR 26 N 0.30 2.91 1.02 0.00 2.02 -1.26 -3.90 117.35 118.44 1iyb s TYR 26 Ca -0.04 1.52 -0.11 0.00 -0.37 0.00 0.00 57.07 58.07 1iyb s TYR 26 Cb -0.08 -3.05 0.20 0.00 -0.40 0.00 0.00 41.96 38.63 1iyb s TYR 26 CO 0.00 -1.23 1.04 -2.30 -1.57 0.00 0.00 175.55 171.49 1iyb n PRO 27 N -2.06 -1.23 -0.04 -1.71 -0.02 -1.25 -4.28 135.00 124.41 1iyb n PRO 27 Ca 0.09 -0.31 0.17 0.00 -2.02 0.00 0.00 63.50 61.43 1iyb n PRO 27 Cb 0.53 -2.26 0.60 0.00 -0.02 0.00 0.00 33.50 32.35 1iyb n PRO 27 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iyb h LYS 28 N -2.19 0.18 0.00 -0.52 1.57 -1.62 -1.13 116.57 112.86 1iyb h LYS 28 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1iyb h LYS 28 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1iyb h LYS 28 CO 0.44 0.12 0.00 0.25 -0.57 0.00 0.00 179.45 179.68 1iyb n THR 29 N -4.43 0.22 0.00 -0.16 -2.24 -1.26 -5.01 114.28 101.40 1iyb n THR 29 Ca 0.10 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1iyb n THR 29 Cb 0.52 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1iyb n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iyb n GLY 30 N 0.81 0.30 3.68 3.38 0.00 -0.43 -5.03 105.19 107.90 1iyb n GLY 30 Ca 0.11 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 1iyb n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iyb n LYS 31 N -0.76 2.74 -0.95 1.61 4.81 -1.26 -3.78 118.16 120.56 1iyb n LYS 31 Ca 0.00 1.00 -0.30 0.00 -0.87 0.00 0.00 58.31 58.13 1iyb n LYS 31 Cb 0.00 -2.90 0.15 0.00 0.02 0.00 0.00 35.03 32.29 1iyb n LYS 31 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1iyb s PRO 32 N 3.21 1.25 0.64 1.64 0.02 -1.26 -4.96 135.00 135.54 1iyb s PRO 32 Ca 0.84 1.23 -0.18 0.00 0.02 0.00 0.00 61.00 62.91 1iyb s PRO 32 Cb -0.49 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.23 1iyb s PRO 32 CO 0.40 -2.36 1.26 0.00 -0.33 0.00 0.00 177.00 175.97 1iyb s ALA 33 N -2.76 2.41 -1.36 -1.55 0.00 -1.26 -4.84 121.76 112.39 1iyb s ALA 33 Ca 0.65 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.61 1iyb s ALA 33 Cb -0.20 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1iyb s ALA 33 CO 0.58 -1.48 2.43 0.43 0.00 0.00 0.00 175.76 177.72 1iyb n SER 34 N -1.86 5.49 -4.23 0.00 7.64 -1.26 -4.82 113.62 114.58 1iyb n SER 34 Ca 0.15 -2.67 -0.13 0.00 1.01 0.00 0.00 58.87 57.24 1iyb n SER 34 Cb 0.49 -1.49 -0.10 0.00 -1.01 0.00 0.00 64.21 62.10 1iyb n SER 34 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1iyb s ASP 35 N 3.11 0.89 0.60 6.43 1.01 -1.26 -5.05 116.67 122.40 1iyb s ASP 35 Ca 0.55 -1.24 -0.18 0.00 0.71 0.00 0.00 52.55 52.39 1iyb s ASP 35 Cb 0.15 0.19 -0.03 0.00 1.01 0.00 0.00 42.92 44.24 1iyb s ASP 35 CO -0.05 -0.66 1.16 -0.36 0.21 0.00 0.00 175.17 175.48 1iyb s PHE 36 N -3.82 2.49 0.22 4.23 0.40 -1.26 -4.48 117.98 115.76 1iyb s PHE 36 Ca 0.28 1.54 0.11 0.00 -0.60 0.00 0.00 56.93 58.26 1iyb s PHE 36 Cb 0.07 -3.36 -0.05 0.00 0.51 0.00 0.00 43.02 40.19 1iyb s PHE 36 CO 0.06 -1.95 -0.22 0.20 0.70 0.00 0.00 175.22 174.01 1iyb s GLY 37 N -1.86 1.73 0.25 4.36 0.00 -0.23 -4.93 107.32 106.64 1iyb s GLY 37 Ca 0.74 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 1iyb s GLY 37 CO 0.33 -1.75 1.26 -0.42 0.00 0.00 0.00 173.10 172.52 1iyb s ILE 38 N -1.99 3.15 -0.22 0.90 1.01 -0.11 -0.58 121.20 123.36 1iyb s ILE 38 Ca 0.23 1.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.76 1iyb s ILE 38 Cb -0.07 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 1iyb s ILE 38 CO 0.11 0.20 -0.34 1.57 0.00 0.00 0.00 174.94 176.48 1iyb n HIS 39 N 1.86 0.00 0.00 3.97 -0.00 0.51 -4.70 115.22 116.87 1iyb n HIS 39 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1iyb n HIS 39 Cb 0.43 -0.71 0.00 0.00 -0.00 0.00 0.00 29.99 29.71 1iyb n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1iyb n GLY 40 N 1.44 -0.26 3.19 1.57 0.00 -1.02 -4.95 105.19 105.16 1iyb n GLY 40 Ca -0.32 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 1iyb n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iyb s LEU 41 N 0.00 4.10 -0.29 0.99 2.96 -1.26 -0.88 118.68 124.31 1iyb s LEU 41 Ca 0.00 -1.32 -0.06 0.00 -0.22 0.00 0.00 54.13 52.53 1iyb s LEU 41 Cb 0.00 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1iyb s LEU 41 CO 0.00 -0.30 0.06 0.26 -1.32 0.00 0.00 176.35 175.05 1iyb s TRP 42 N 1.27 3.14 0.33 5.38 0.51 0.50 -4.55 118.94 125.53 1iyb s TRP 42 Ca -0.03 -1.09 -0.29 0.00 -2.12 0.00 0.00 56.10 52.57 1iyb s TRP 42 Cb -0.20 -2.22 -0.11 0.00 -0.81 0.00 0.00 33.47 30.13 1iyb s TRP 42 CO -0.01 -0.61 1.43 -2.14 -0.51 0.00 0.00 176.95 175.11 1iyb s PRO 43 N 1.47 4.22 0.11 4.98 0.02 -1.26 -0.90 135.00 143.64 1iyb s PRO 43 Ca 0.02 2.41 -0.04 0.00 0.02 0.00 0.00 61.00 63.41 1iyb s PRO 43 Cb -0.17 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 1iyb s PRO 43 CO 0.01 -0.41 0.11 1.21 -0.33 0.00 0.00 177.00 177.60 1iyb s ASN 44 N -0.12 0.25 0.16 2.53 2.47 0.10 -4.33 114.94 116.01 1iyb s ASN 44 Ca 0.53 -0.97 0.06 0.00 0.42 0.00 0.00 52.86 52.90 1iyb s ASN 44 Cb -0.44 0.31 -0.04 0.00 -1.45 0.00 0.00 41.25 39.64 1iyb s ASN 44 CO 0.55 -0.74 0.09 0.20 -3.72 0.00 0.00 177.10 173.49 1iyb s ASN 45 N -2.96 5.31 0.54 -4.21 0.02 0.05 -0.97 114.94 112.71 1iyb s ASN 45 Ca 0.15 -0.20 0.20 0.00 -1.02 0.00 0.00 52.86 51.99 1iyb s ASN 45 Cb 0.06 -1.32 1.43 0.00 0.02 0.00 0.00 41.25 41.44 1iyb s ASN 45 CO -0.04 0.08 2.18 0.78 0.02 0.00 0.00 177.10 180.12 1iyb h ASN 46 N 2.53 0.00 -0.04 -1.22 2.35 -1.95 -1.90 115.58 115.34 1iyb h ASN 46 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1iyb h ASN 46 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1iyb h ASN 46 CO 0.62 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.50 1iyb n ASP 47 N -4.34 0.49 0.00 5.81 3.85 -1.26 -4.64 116.55 116.47 1iyb n ASP 47 Ca -0.03 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 1iyb n ASP 47 Cb 0.10 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1iyb n ASP 47 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iyb n GLY 48 N 0.91 3.14 3.76 6.12 0.00 -0.71 -5.06 105.19 113.35 1iyb n GLY 48 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1iyb n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iyb s SER 49 N 0.01 3.24 -0.11 1.61 1.04 -1.26 -4.76 113.70 113.47 1iyb s SER 49 Ca 0.00 0.97 -0.22 0.00 0.48 0.00 0.00 55.95 57.18 1iyb s SER 49 Cb 0.00 -1.53 0.05 0.00 0.10 0.00 0.00 66.02 64.64 1iyb s SER 49 CO 0.00 -2.72 0.53 -0.72 0.98 0.00 0.00 173.24 171.31 1iyb s TYR 50 N -3.23 -0.51 0.49 5.02 -0.85 -1.26 -0.77 117.35 116.24 1iyb s TYR 50 Ca 0.65 1.05 -0.17 0.00 -0.52 0.00 0.00 57.07 58.07 1iyb s TYR 50 Cb -0.15 0.24 -0.08 0.00 0.38 0.00 0.00 41.96 42.35 1iyb s TYR 50 CO 0.54 -0.42 0.96 -1.25 -1.52 0.00 0.00 175.55 173.86 1iyb s PRO 51 N -0.60 3.98 -0.08 -3.49 0.04 -1.26 -5.00 135.00 128.59 1iyb s PRO 51 Ca -0.07 0.94 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 1iyb s PRO 51 Cb -0.03 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1iyb s PRO 51 CO 0.05 -0.21 0.39 -1.54 0.04 0.00 0.00 177.00 175.73 1iyb s SER 52 N -2.92 -0.34 -1.10 6.66 1.04 -1.26 -4.86 113.70 110.92 1iyb s SER 52 Ca 0.59 0.48 -0.17 0.00 0.48 0.00 0.00 55.95 57.33 1iyb s SER 52 Cb -0.10 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 1iyb s SER 52 CO 0.28 -0.33 0.82 0.59 0.98 0.00 0.00 173.24 175.58 1iyb n ASN 53 N 1.94 -5.72 0.10 7.02 4.13 -0.02 -4.93 115.26 117.77 1iyb n ASN 53 Ca -0.18 -0.92 0.13 0.00 1.68 0.00 0.00 54.58 55.30 1iyb n ASN 53 Cb 0.57 -3.81 0.39 0.00 -1.54 0.00 0.00 39.78 35.38 1iyb n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iyb s ASP 55 N -4.46 0.51 0.35 0.00 -1.08 -1.26 -4.92 116.67 105.81 1iyb s ASP 55 Ca 0.10 -0.74 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 1iyb s ASP 55 Cb 0.13 1.00 1.23 0.00 -1.46 0.00 0.00 42.92 43.82 1iyb s ASP 55 CO 0.61 -0.32 1.78 0.77 0.52 0.00 0.00 175.17 178.52 1iyb h SER 56 N 7.80 0.00 -0.63 -0.34 4.64 -1.95 -2.25 113.55 120.83 1iyb h SER 56 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1iyb h SER 56 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1iyb h SER 56 CO 0.24 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.79 1iyb n ASN 57 N -2.40 4.72 -3.16 4.97 3.02 -1.26 -4.40 115.26 116.75 1iyb n ASN 57 Ca -0.00 -2.47 -0.25 0.00 -0.03 0.00 0.00 54.58 51.83 1iyb n ASN 57 Cb 0.14 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.67 1iyb n ASN 57 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1iyb n SER 58 N 1.06 2.99 -4.76 6.41 2.88 -0.85 -5.10 113.62 116.25 1iyb n SER 58 Ca 0.25 -3.35 -0.34 0.00 -1.33 0.00 0.00 58.87 54.10 1iyb n SER 58 Cb 0.89 -0.61 0.05 0.00 -0.75 0.00 0.00 64.21 63.79 1iyb n SER 58 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1iyb s PRO 59 N -2.68 2.77 0.29 -1.46 0.04 -1.26 -4.85 135.00 127.84 1iyb s PRO 59 Ca 0.43 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1iyb s PRO 59 Cb 0.24 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.73 1iyb s PRO 59 CO -0.09 -1.30 1.50 0.98 0.04 0.00 0.00 177.00 178.14 1iyb n TYR 60 N -2.21 2.59 -3.64 0.56 9.36 -1.26 -4.97 117.16 117.59 1iyb n TYR 60 Ca 0.11 0.35 -0.29 0.00 3.32 0.00 0.00 57.90 61.39 1iyb n TYR 60 Cb 0.51 -2.53 -0.13 0.00 -0.63 0.00 0.00 39.34 36.56 1iyb n TYR 60 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1iyb s ASP 61 N 0.32 3.54 0.59 2.98 3.68 -1.26 -5.00 116.67 121.53 1iyb s ASP 61 Ca 0.64 -2.21 0.29 0.00 2.13 0.00 0.00 52.55 53.40 1iyb s ASP 61 Cb -0.55 -0.79 1.64 0.00 -1.45 0.00 0.00 42.92 41.77 1iyb s ASP 61 CO 0.51 -0.32 2.06 -0.61 0.13 0.00 0.00 175.17 176.94 1iyb h GLN 62 N 7.20 0.00 0.00 4.34 4.15 -1.98 -0.74 115.11 128.08 1iyb h GLN 62 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1iyb h GLN 62 Cb 0.96 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 1iyb h GLN 62 CO 0.42 0.00 -0.09 0.66 -1.93 0.00 0.00 178.83 177.89 1iyb h SER 63 N 0.00 0.00 0.83 -0.69 4.64 -2.00 -1.50 113.55 114.83 1iyb h SER 63 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1iyb h SER 63 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1iyb h SER 63 CO -0.00 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1iyb n GLN 64 N -3.85 0.05 -0.48 4.77 6.02 -0.28 -3.30 117.38 120.31 1iyb n GLN 64 Ca -0.02 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.18 1iyb n GLN 64 Cb 0.18 -1.57 0.08 0.00 1.02 0.00 0.00 30.24 29.96 1iyb n GLN 64 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1iyb n VAL 65 N -1.65 1.02 -0.21 5.09 0.24 -0.60 -4.36 118.33 117.86 1iyb n VAL 65 Ca 0.05 -1.44 0.17 0.00 -2.04 0.00 0.00 64.34 61.08 1iyb n VAL 65 Cb 0.27 0.18 0.49 0.00 -1.47 0.00 0.00 33.84 33.32 1iyb n VAL 65 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1iyb h SER 66 N 0.27 0.43 0.45 -1.34 4.64 -1.45 0.12 113.55 116.67 1iyb h SER 66 Ca -0.03 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iyb h SER 66 Cb 1.26 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1iyb h SER 66 CO 0.01 0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 175.27 1iyb n ASP 67 N -4.50 0.00 -0.03 4.97 5.75 -1.26 -2.93 116.55 118.55 1iyb n ASP 67 Ca 0.17 -0.01 0.05 0.00 -0.01 0.00 0.00 54.79 54.99 1iyb n ASP 67 Cb 0.60 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 40.34 1iyb n ASP 67 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1iyb n LEU 68 N -1.30 0.59 -0.19 -2.12 4.77 0.40 -4.73 117.00 114.43 1iyb n LEU 68 Ca 0.11 -0.53 -0.01 0.00 -0.03 0.00 0.00 56.01 55.55 1iyb n LEU 68 Cb 0.19 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1iyb n LEU 68 CO 0.18 0.14 0.94 0.40 -1.33 0.00 0.00 177.39 177.72 1iyb h ILE 69 N 0.15 0.72 -0.87 -0.08 1.08 -1.37 -0.75 117.51 116.40 1iyb h ILE 69 Ca 0.00 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1iyb h ILE 69 Cb 0.26 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.35 1iyb h ILE 69 CO 0.00 0.06 0.57 0.77 -0.69 0.00 0.00 178.15 178.86 1iyb h SER 70 N 0.31 0.97 0.17 1.72 4.64 -1.85 0.13 113.55 119.65 1iyb h SER 70 Ca 0.29 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.43 1iyb h SER 70 Cb 0.38 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1iyb h SER 70 CO -0.33 0.69 -0.59 0.03 -0.87 0.00 0.00 176.83 175.75 1iyb h ARG 71 N 1.14 0.42 -0.13 4.77 3.08 -1.72 -2.94 114.38 119.01 1iyb h ARG 71 Ca 0.33 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1iyb h ARG 71 Cb -0.07 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1iyb h ARG 71 CO -0.08 0.89 -0.51 0.52 -1.07 0.00 0.00 179.97 179.72 1iyb h MET 72 N 0.32 0.35 -0.45 0.04 2.86 -0.36 -0.18 114.93 117.50 1iyb h MET 72 Ca -0.00 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 1iyb h MET 72 Cb 1.12 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 1iyb h MET 72 CO 0.10 0.78 0.02 1.96 1.06 0.00 0.00 176.91 180.83 1iyb h GLN 73 N 0.27 0.73 0.17 1.72 4.20 -0.66 0.20 115.11 121.76 1iyb h GLN 73 Ca 0.01 -0.18 -0.32 0.00 0.06 0.00 0.00 58.65 58.22 1iyb h GLN 73 Cb 0.99 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.69 1iyb h GLN 73 CO 0.08 0.73 -1.51 1.96 -0.67 0.00 0.00 178.83 179.43 1iyb h GLN 74 N 0.69 0.37 0.00 1.46 1.08 -1.33 -3.39 115.11 113.99 1iyb h GLN 74 Ca 0.14 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1iyb h GLN 74 Cb 0.40 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1iyb h GLN 74 CO 0.01 1.27 -0.90 0.09 -0.95 0.00 0.00 178.83 178.36 1iyb n ASN 75 N -3.57 0.84 -2.80 1.46 4.13 -0.10 -4.64 115.26 110.58 1iyb n ASN 75 Ca -0.17 -0.87 -0.18 0.00 1.68 0.00 0.00 54.58 55.04 1iyb n ASN 75 Cb 1.07 1.05 -0.00 0.00 -1.54 0.00 0.00 39.78 40.35 1iyb n ASN 75 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 1iyb n TRP 76 N -1.46 1.92 -1.96 3.10 -0.00 0.69 -0.94 117.44 118.80 1iyb n TRP 76 Ca 0.03 -3.32 -0.33 0.00 -0.00 0.00 0.00 57.50 53.87 1iyb n TRP 76 Cb 0.29 -0.34 0.03 0.00 -0.00 0.00 0.00 31.31 31.29 1iyb n TRP 76 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1iyb s PRO 77 N -3.11 3.07 -0.12 5.87 0.04 -1.25 -4.79 135.00 134.71 1iyb s PRO 77 Ca 0.39 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1iyb s PRO 77 Cb 0.39 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 1iyb s PRO 77 CO -0.07 -1.03 0.12 -0.08 0.04 0.00 0.00 177.00 175.97 1iyb s THR 78 N -2.24 5.32 -0.14 1.26 -1.32 -1.26 -4.91 115.64 112.35 1iyb s THR 78 Ca 0.67 0.14 0.11 0.00 -1.21 0.00 0.00 61.69 61.40 1iyb s THR 78 Cb -0.20 -3.32 0.19 0.00 -1.51 0.00 0.00 72.50 67.67 1iyb s THR 78 CO 0.37 0.60 1.12 0.18 -2.21 0.00 0.00 174.62 174.68 1iyb n LEU 79 N 2.12 2.37 -4.88 9.08 4.77 -1.26 -3.83 117.00 125.37 1iyb n LEU 79 Ca -0.20 -2.58 -0.30 0.00 -0.03 0.00 0.00 56.01 52.91 1iyb n LEU 79 Cb 0.55 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1iyb n LEU 79 CO 0.31 0.62 0.59 0.00 -1.33 0.00 0.00 177.39 177.59 1iyb s ALA 80 N -2.00 3.23 -0.02 -1.18 0.00 -1.25 -0.77 121.76 119.77 1iyb s ALA 80 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1iyb s ALA 80 Cb 0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1iyb s ALA 80 CO 0.03 -0.47 0.12 0.00 0.00 0.00 0.00 175.76 175.44 1iyb s PRO 82 N -1.74 1.84 -0.13 0.00 0.04 -1.26 -5.04 135.00 128.71 1iyb s PRO 82 Ca 0.24 0.18 -0.40 0.00 0.04 0.00 0.00 61.00 61.06 1iyb s PRO 82 Cb -0.12 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 1iyb s PRO 82 CO 0.15 -1.69 1.39 0.43 0.04 0.00 0.00 177.00 177.32 1iyb n SER 83 N -3.40 1.22 -4.80 6.66 7.64 -1.26 -4.95 113.62 114.73 1iyb n SER 83 Ca 0.08 1.14 -0.34 0.00 1.01 0.00 0.00 58.87 60.76 1iyb n SER 83 Cb 0.60 -1.04 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 1iyb n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1iyb s GLY 84 N 1.47 3.09 -0.00 0.23 0.00 -1.26 -4.63 107.32 106.21 1iyb s GLY 84 Ca 0.93 -0.07 0.12 0.00 0.00 0.00 0.00 44.72 45.71 1iyb s GLY 84 CO 0.61 -2.20 0.77 -0.91 0.00 0.00 0.00 173.10 171.37 1iyb h THR 85 N 1.24 0.91 0.00 0.90 1.35 -1.96 -2.02 112.91 113.33 1iyb h THR 85 Ca -0.44 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 1iyb h THR 85 Cb 1.33 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1iyb h THR 85 CO 0.72 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.12 1iyb n GLY 86 N 1.50 1.79 0.35 5.82 0.00 -1.26 -4.87 105.19 108.53 1iyb n GLY 86 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1iyb n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iyb h SER 87 N 0.52 0.87 -0.38 1.61 0.02 -1.96 -0.67 113.55 113.57 1iyb h SER 87 Ca 0.00 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1iyb h SER 87 Cb 0.00 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1iyb h SER 87 CO 0.00 0.45 -0.00 0.00 -1.14 0.00 0.00 176.83 176.14 1iyb h ALA 88 N 1.54 1.13 -0.06 3.77 0.00 -1.98 0.76 119.26 124.41 1iyb h ALA 88 Ca 0.49 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1iyb h ALA 88 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1iyb h ALA 88 CO -0.28 0.56 -0.05 0.35 0.00 0.00 0.00 179.25 179.83 1iyb h PHE 89 N 0.71 0.17 -0.76 0.00 3.57 -1.71 -1.61 116.94 117.31 1iyb h PHE 89 Ca 0.14 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1iyb h PHE 89 Cb 0.44 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1iyb h PHE 89 CO 0.02 0.57 0.36 -1.49 -2.23 0.00 0.00 178.31 175.53 1iyb h TRP 90 N -0.27 1.10 -0.47 0.41 6.55 -1.02 -1.53 115.95 120.71 1iyb h TRP 90 Ca 0.01 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 59.78 1iyb h TRP 90 Cb 0.53 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 28.47 1iyb h TRP 90 CO 0.08 0.81 0.25 1.03 -1.05 0.00 0.00 178.44 179.56 1iyb h SER 91 N 1.07 0.60 -0.54 -3.49 0.87 -0.84 -1.49 113.55 109.74 1iyb h SER 91 Ca 0.26 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1iyb h SER 91 Cb 0.13 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1iyb h SER 91 CO -0.03 0.54 0.34 -0.74 -0.53 0.00 0.00 176.83 176.40 1iyb h HIS 92 N 0.62 0.63 -0.54 2.24 -0.00 -0.91 -0.51 115.15 116.69 1iyb h HIS 92 Ca 0.16 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 1iyb h HIS 92 Cb 0.08 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1iyb h HIS 92 CO -0.01 0.38 0.03 0.93 -0.00 0.00 0.00 177.93 179.26 1iyb h GLU 93 N 0.68 0.89 -0.04 5.26 4.39 -1.00 -0.49 114.58 124.27 1iyb h GLU 93 Ca 0.21 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1iyb h GLU 93 Cb -0.02 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1iyb h GLU 93 CO -0.07 0.86 -0.02 2.35 -1.16 0.00 0.00 179.01 180.97 1iyb h TRP 94 N 0.83 0.09 -0.57 4.33 2.91 -0.91 -1.02 115.95 121.61 1iyb h TRP 94 Ca 0.16 -0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 1iyb h TRP 94 Cb 0.45 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.05 1iyb h TRP 94 CO 0.03 0.50 0.02 0.93 -1.03 0.00 0.00 178.44 178.88 1iyb h GLU 95 N -0.34 0.98 0.24 2.65 5.08 -1.02 0.63 114.58 122.79 1iyb h GLU 95 Ca 0.01 -0.28 -0.34 0.00 -1.00 0.00 0.00 59.36 57.74 1iyb h GLU 95 Cb 0.48 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 29.66 1iyb h GLU 95 CO 0.01 0.95 -1.53 -0.22 -1.00 0.00 0.00 179.01 177.21 1iyb h LYS 96 N 0.90 0.50 0.00 2.33 3.64 -1.16 -3.32 116.57 119.47 1iyb h LYS 96 Ca 0.17 -0.86 -0.18 0.00 -1.27 0.00 0.00 60.65 58.51 1iyb h LYS 96 Cb 0.50 0.32 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1iyb h LYS 96 CO 0.02 1.41 -1.61 0.72 -2.27 0.00 0.00 179.45 177.72 1iyb n HIS 97 N -3.68 0.00 -0.27 1.91 8.25 -0.47 -0.84 115.22 120.12 1iyb n HIS 97 Ca -0.18 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.32 1iyb n HIS 97 Cb 1.10 -0.40 0.18 0.00 1.12 0.00 0.00 29.99 32.00 1iyb n HIS 97 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1iyb h GLY 98 N -0.33 1.24 1.90 -1.41 0.00 -0.33 -0.95 103.07 103.19 1iyb h GLY 98 Ca -0.28 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1iyb h GLY 98 CO -0.16 0.01 0.04 -0.91 0.00 0.00 0.00 176.54 175.52 1iyb h THR 99 N 0.62 0.37 -0.00 4.70 1.35 -1.16 -0.40 112.91 118.39 1iyb h THR 99 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 1iyb h THR 99 Cb 0.51 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1iyb h THR 99 CO -0.32 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.95 1iyb n ALA 101 N -0.97 2.26 -0.14 0.00 0.00 -0.18 -4.66 120.51 116.83 1iyb n ALA 101 Ca 0.23 -1.87 0.27 0.00 0.00 0.00 0.00 53.44 52.07 1iyb n ALA 101 Cb 0.11 -0.48 0.72 0.00 0.00 0.00 0.00 19.45 19.80 1iyb n ALA 101 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iyb h GLU 102 N 0.20 0.00 0.00 0.00 5.08 -1.43 0.13 114.58 118.57 1iyb h GLU 102 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1iyb h GLU 102 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1iyb h GLU 102 CO 0.01 0.00 0.00 -2.95 -1.00 0.00 0.00 179.01 175.07 1iyb h ASN 103 N 0.00 0.00 0.00 1.42 7.08 -1.89 -3.32 115.58 118.87 1iyb h ASN 103 Ca 0.38 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 53.29 1iyb h ASN 103 Cb 1.55 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.74 1iyb h ASN 103 CO -0.00 0.00 -2.14 0.52 -2.08 0.00 0.00 177.43 173.73 1iyb n VAL 104 N -2.36 1.13 -4.29 6.14 0.31 0.33 -5.03 118.33 114.57 1iyb n VAL 104 Ca 0.04 -0.37 -0.18 0.00 -0.01 0.00 0.00 64.34 63.82 1iyb n VAL 104 Cb 0.34 -1.45 -0.15 0.00 -0.91 0.00 0.00 33.84 31.67 1iyb n VAL 104 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1iyb s PHE 105 N -2.39 0.69 0.13 3.52 0.40 -0.55 -5.02 117.98 114.75 1iyb s PHE 105 Ca -0.28 -0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1iyb s PHE 105 Cb 0.09 -0.45 0.03 0.00 0.51 0.00 0.00 43.02 43.20 1iyb s PHE 105 CO 0.41 -0.01 0.17 -0.40 0.70 0.00 0.00 175.22 176.09 1iyb n ASP 106 N 2.91 0.15 -0.06 1.36 5.68 -1.26 -4.12 116.55 121.22 1iyb n ASP 106 Ca -0.13 -1.14 -0.09 0.00 -0.50 0.00 0.00 54.79 52.92 1iyb n ASP 106 Cb 0.57 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 40.41 1iyb n ASP 106 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1iyb h GLN 107 N 0.00 0.26 -0.57 0.11 4.20 -1.96 0.10 115.11 117.26 1iyb h GLN 107 Ca -0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1iyb h GLN 107 Cb 0.19 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1iyb h GLN 107 CO 0.05 0.17 0.35 1.25 -0.67 0.00 0.00 178.83 179.98 1iyb h HIS 108 N 0.27 0.74 -0.39 2.96 2.76 -1.95 -2.07 115.15 117.48 1iyb h HIS 108 Ca 0.09 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 1iyb h HIS 108 Cb 0.00 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1iyb h HIS 108 CO -0.08 0.50 -0.04 0.78 -1.30 0.00 0.00 177.93 177.79 1iyb h GLY 109 N 0.76 0.69 0.75 5.26 0.00 -1.85 -0.83 103.07 107.85 1iyb h GLY 109 Ca 0.20 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1iyb h GLY 109 CO -0.04 0.42 -0.19 -1.82 0.00 0.00 0.00 176.54 174.92 1iyb h TYR 110 N 0.60 -0.48 -0.46 5.60 3.20 -0.63 -0.84 116.97 123.96 1iyb h TYR 110 Ca 0.12 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1iyb h TYR 110 Cb 0.44 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1iyb h TYR 110 CO 0.02 -0.17 -0.01 0.74 -1.64 0.00 0.00 178.16 177.10 1iyb h PHE 111 N -0.78 0.80 -0.52 -3.82 -1.00 -1.38 -2.12 116.94 108.12 1iyb h PHE 111 Ca -0.05 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1iyb h PHE 111 Cb 0.52 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1iyb h PHE 111 CO 0.01 0.75 0.14 -0.22 -1.61 0.00 0.00 178.31 177.38 1iyb h LYS 112 N 0.71 0.83 -0.62 1.51 3.64 -1.13 -1.35 116.57 120.16 1iyb h LYS 112 Ca 0.14 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1iyb h LYS 112 Cb 0.44 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1iyb h LYS 112 CO 0.02 0.78 0.33 -0.22 -2.27 0.00 0.00 179.45 178.09 1iyb h LYS 113 N 0.73 0.87 -0.73 1.90 1.63 -0.90 0.53 116.57 120.59 1iyb h LYS 113 Ca 0.17 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1iyb h LYS 113 Cb 0.32 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1iyb h LYS 113 CO -0.00 0.67 0.45 0.00 -3.45 0.00 0.00 179.45 177.12 1iyb h ALA 114 N 1.15 0.93 -0.62 5.00 0.00 -1.16 0.07 119.26 124.64 1iyb h ALA 114 Ca 0.22 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1iyb h ALA 114 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1iyb h ALA 114 CO -0.03 0.39 0.02 -0.07 0.00 0.00 0.00 179.25 179.56 1iyb h LEU 115 N 1.00 1.06 -0.55 0.00 3.38 -0.77 -1.31 115.31 118.12 1iyb h LEU 115 Ca 0.26 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1iyb h LEU 115 Cb -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1iyb h LEU 115 CO -0.05 1.09 -0.16 0.44 0.09 0.00 0.00 178.44 179.85 1iyb h ASP 116 N 0.99 1.01 -0.44 -0.43 3.45 -0.49 -2.15 116.42 118.36 1iyb h ASP 116 Ca 0.18 -0.36 -0.07 0.00 0.43 0.00 0.00 57.03 57.21 1iyb h ASP 116 Cb 0.54 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 1iyb h ASP 116 CO 0.03 1.15 0.04 -0.07 -1.57 0.00 0.00 179.24 178.82 1iyb h LEU 117 N 0.88 0.79 -0.45 1.55 3.38 -0.85 -1.00 115.31 119.61 1iyb h LEU 117 Ca 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1iyb h LEU 117 Cb 0.73 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1iyb h LEU 117 CO 0.06 0.83 0.25 0.50 0.09 0.00 0.00 178.44 180.16 1iyb h LYS 118 N 0.78 0.63 -0.09 1.13 1.63 -0.94 0.11 116.57 119.81 1iyb h LYS 118 Ca 0.16 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.77 1iyb h LYS 118 Cb 0.41 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1iyb h LYS 118 CO 0.01 0.50 -0.46 -0.97 -3.45 0.00 0.00 179.45 175.09 1iyb h ASN 119 N 0.59 0.23 0.28 4.20 -1.24 -1.16 -3.02 115.58 115.46 1iyb h ASN 119 Ca 0.16 -0.10 -0.15 0.00 0.71 0.00 0.00 56.30 56.92 1iyb h ASN 119 Cb 0.05 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1iyb h ASN 119 CO -0.03 0.66 -0.59 -0.61 -1.29 0.00 0.00 177.43 175.57 1iyb h GLN 120 N 0.17 0.31 -3.14 6.67 4.15 -0.65 -3.38 115.11 119.25 1iyb h GLN 120 Ca 0.01 -0.20 -0.63 0.00 0.77 0.00 0.00 58.65 58.60 1iyb h GLN 120 Cb 0.88 0.03 -0.42 0.00 0.21 0.00 0.00 27.48 28.18 1iyb h GLN 120 CO 0.07 0.80 -0.57 0.42 -1.93 0.00 0.00 178.83 177.62 1iyb s ILE 121 N -3.82 2.88 -0.84 2.39 1.01 0.32 -5.03 121.20 118.12 1iyb s ILE 121 Ca -0.05 -4.13 -0.22 0.00 0.00 0.00 0.00 60.65 56.26 1iyb s ILE 121 Cb 0.12 -2.91 0.08 0.00 0.01 0.00 0.00 42.46 39.76 1iyb s ILE 121 CO 0.81 -0.97 1.16 0.21 0.00 0.00 0.00 174.94 176.14 1iyb s ASN 122 N -1.25 6.39 0.21 3.58 3.84 -1.25 -4.78 114.94 121.68 1iyb s ASN 122 Ca 0.24 -1.38 -0.08 0.00 0.21 0.00 0.00 52.86 51.84 1iyb s ASN 122 Cb -0.08 -2.46 0.15 0.00 -0.55 0.00 0.00 41.25 38.31 1iyb s ASN 122 CO -0.14 -1.37 1.77 -0.07 -2.79 0.00 0.00 177.10 174.50 1iyb h LEU 123 N 11.52 1.08 -0.31 3.21 3.38 -1.96 -1.72 115.31 130.52 1iyb h LEU 123 Ca -0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1iyb h LEU 123 Cb 1.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1iyb h LEU 123 CO 1.22 0.97 0.19 0.25 0.09 0.00 0.00 178.44 181.16 1iyb h LEU 124 N 1.13 0.38 -0.84 1.67 5.85 -1.96 -0.29 115.31 121.25 1iyb h LEU 124 Ca 0.26 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1iyb h LEU 124 Cb 0.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1iyb h LEU 124 CO -0.02 0.32 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.95 1iyb h GLU 125 N 0.40 0.74 -0.17 1.25 5.08 -1.95 0.14 114.58 120.07 1iyb h GLU 125 Ca 0.11 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1iyb h GLU 125 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1iyb h GLU 125 CO -0.02 0.83 0.04 0.82 -1.00 0.00 0.00 179.01 179.68 1iyb h ILE 126 N 0.67 1.20 -0.28 3.13 2.04 -1.04 -1.01 117.51 122.23 1iyb h ILE 126 Ca 0.11 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1iyb h ILE 126 Cb 0.58 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1iyb h ILE 126 CO 0.04 0.20 -0.03 -0.07 0.00 0.00 0.00 178.15 178.28 1iyb h LEU 127 N 0.09 0.51 -1.59 1.44 3.38 -0.89 -2.73 115.31 115.52 1iyb h LEU 127 Ca 0.05 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1iyb h LEU 127 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1iyb h LEU 127 CO 0.00 0.72 -0.19 1.56 0.09 0.00 0.00 178.44 180.63 1iyb h GLN 128 N 0.28 0.00 0.00 1.13 4.20 -0.72 -0.09 115.11 119.91 1iyb h GLN 128 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1iyb h GLN 128 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1iyb h GLN 128 CO 0.02 0.19 0.00 0.78 -0.67 0.00 0.00 178.83 179.15 1iyb h GLY 129 N 1.25 0.00 -1.94 3.46 0.00 -0.86 -1.96 103.07 103.02 1iyb h GLY 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iyb h GLY 129 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1iyb n ALA 130 N -2.07 2.50 -0.97 3.60 0.00 -0.42 -4.95 120.51 118.19 1iyb n ALA 130 Ca -0.00 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1iyb n ALA 130 Cb 0.24 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1iyb n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iyb n GLY 131 N 0.72 0.42 3.20 0.00 0.00 -0.74 -5.01 105.19 103.78 1iyb n GLY 131 Ca 0.18 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1iyb n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iyb s ILE 132 N -2.00 4.01 0.18 -0.61 1.01 -0.18 -4.98 121.20 118.62 1iyb s ILE 132 Ca 0.00 -1.76 0.09 0.00 0.00 0.00 0.00 60.65 58.97 1iyb s ILE 132 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1iyb s ILE 132 CO 0.00 -0.70 -0.09 -1.00 0.00 0.00 0.00 174.94 173.15 1iyb s HIS 133 N 1.33 2.65 -1.47 3.97 3.76 -1.26 -2.63 115.29 121.63 1iyb s HIS 133 Ca 0.06 -0.21 -0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1iyb s HIS 133 Cb -0.25 -1.30 0.03 0.00 1.11 0.00 0.00 32.58 32.18 1iyb s HIS 133 CO -0.01 0.51 2.31 -0.35 -0.85 0.00 0.00 174.74 176.35 1iyb n PRO 134 N 0.07 3.08 -0.25 8.40 -0.04 -1.26 -4.50 135.00 140.50 1iyb n PRO 134 Ca -0.11 -2.63 0.09 0.00 -0.04 0.00 0.00 63.50 60.81 1iyb n PRO 134 Cb 0.55 -3.17 0.20 0.00 -0.04 0.00 0.00 33.50 31.04 1iyb n PRO 134 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1iyb n ASP 135 N 5.45 3.07 0.00 3.54 5.68 -1.07 -3.48 116.55 129.73 1iyb n ASP 135 Ca 0.55 -3.05 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 1iyb n ASP 135 Cb 0.36 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1iyb n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iyb n GLY 136 N -0.99 1.12 3.84 6.12 0.00 -0.15 -4.77 105.19 110.36 1iyb n GLY 136 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1iyb n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iyb s GLY 137 N -2.00 1.60 -0.07 -0.02 0.00 -1.26 -4.63 107.32 100.95 1iyb s GLY 137 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 1iyb s GLY 137 CO 0.00 -0.09 -0.03 -1.36 0.00 0.00 0.00 173.10 171.61 1iyb s PHE 138 N -3.45 3.04 0.07 1.90 0.40 -1.26 -1.63 117.98 117.05 1iyb s PHE 138 Ca 0.64 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 1iyb s PHE 138 Cb -0.12 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 1iyb s PHE 138 CO 0.52 0.40 -0.09 0.71 0.70 0.00 0.00 175.22 177.46 1iyb s TYR 139 N -0.86 0.90 0.41 0.36 1.51 0.22 -4.91 117.35 114.98 1iyb s TYR 139 Ca 0.13 -0.61 -0.24 0.00 -1.01 0.00 0.00 57.07 55.35 1iyb s TYR 139 Cb -0.11 -0.51 -0.09 0.00 -0.11 0.00 0.00 41.96 41.14 1iyb s TYR 139 CO 0.02 -0.05 1.07 -1.54 -1.11 0.00 0.00 175.55 173.94 1iyb s SER 140 N -2.10 6.68 0.21 2.29 1.04 -1.26 -0.26 113.70 120.30 1iyb s SER 140 Ca -0.01 2.08 -0.10 0.00 0.48 0.00 0.00 55.95 58.41 1iyb s SER 140 Cb -0.05 -2.59 0.21 0.00 0.10 0.00 0.00 66.02 63.69 1iyb s SER 140 CO -0.00 -0.54 1.84 0.25 0.98 0.00 0.00 173.24 175.76 1iyb h LEU 141 N 2.46 0.70 -1.34 2.42 5.85 -1.28 -2.29 115.31 121.83 1iyb h LEU 141 Ca -0.48 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1iyb h LEU 141 Cb 1.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1iyb h LEU 141 CO 0.62 0.47 -0.02 0.78 -0.34 0.00 0.00 178.44 179.96 1iyb h ASN 142 N 0.83 0.39 -0.42 1.25 2.35 -1.92 -1.58 115.58 116.48 1iyb h ASN 142 Ca 0.29 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1iyb h ASN 142 Cb 0.06 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1iyb h ASN 142 CO -0.13 0.47 -0.03 0.77 -1.65 0.00 0.00 177.43 176.87 1iyb h SER 143 N 0.41 0.82 -0.12 5.81 4.64 -1.80 0.03 113.55 123.33 1iyb h SER 143 Ca 0.09 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1iyb h SER 143 Cb 0.30 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1iyb h SER 143 CO 0.01 0.90 -0.08 0.40 -0.87 0.00 0.00 176.83 177.19 1iyb h ILE 144 N 0.78 1.33 -0.25 0.95 2.04 -1.22 -1.53 117.51 119.60 1iyb h ILE 144 Ca 0.14 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1iyb h ILE 144 Cb 0.50 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1iyb h ILE 144 CO 0.03 0.33 0.15 0.11 0.00 0.00 0.00 178.15 178.77 1iyb h LYS 145 N -0.09 0.35 -0.01 2.37 1.57 -1.16 -2.82 116.57 116.78 1iyb h LYS 145 Ca 0.03 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1iyb h LYS 145 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1iyb h LYS 145 CO 0.02 0.29 -0.55 -0.91 -0.57 0.00 0.00 179.45 177.73 1iyb h ASN 146 N 0.31 0.04 -0.60 0.86 2.35 -1.01 -0.61 115.58 116.91 1iyb h ASN 146 Ca 0.09 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1iyb h ASN 146 Cb 0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1iyb h ASN 146 CO -0.02 0.58 0.13 0.00 -1.65 0.00 0.00 177.43 176.47 1iyb h ALA 147 N 1.42 0.80 -0.25 -0.83 0.00 -1.20 -0.78 119.26 118.42 1iyb h ALA 147 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1iyb h ALA 147 Cb 0.98 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1iyb h ALA 147 CO 0.07 0.52 -0.36 0.82 0.00 0.00 0.00 179.25 180.31 1iyb h ILE 148 N 0.88 1.31 -0.66 0.00 2.04 -1.28 -2.78 117.51 117.03 1iyb h ILE 148 Ca 0.19 -1.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 1iyb h ILE 148 Cb 0.38 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1iyb h ILE 148 CO 0.01 0.49 0.41 -0.09 0.00 0.00 0.00 178.15 178.97 1iyb h ARG 149 N 0.40 0.89 -0.13 2.37 2.43 -0.94 -0.56 114.38 118.84 1iyb h ARG 149 Ca 0.03 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1iyb h ARG 149 Cb 0.94 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1iyb h ARG 149 CO 0.08 0.63 -0.11 0.77 -1.51 0.00 0.00 179.97 179.83 1iyb h SER 150 N 0.90 0.19 0.00 -3.80 0.02 -1.14 0.22 113.55 109.94 1iyb h SER 150 Ca 0.24 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1iyb h SER 150 Cb -0.05 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1iyb h SER 150 CO -0.05 0.33 -0.00 0.00 -1.14 0.00 0.00 176.83 175.97 1iyb h ALA 151 N 1.70 -0.01 0.00 3.77 0.00 -1.08 -3.39 119.26 120.25 1iyb h ALA 151 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1iyb h ALA 151 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1iyb h ALA 151 CO 0.02 -0.02 -1.18 0.44 0.00 0.00 0.00 179.25 178.50 1iyb n ILE 152 N -4.65 0.02 -0.57 0.00 -5.35 -0.29 -4.99 119.36 103.54 1iyb n ILE 152 Ca -0.09 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1iyb n ILE 152 Cb 0.41 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 1iyb n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iyb n GLY 153 N 1.43 0.74 3.04 3.28 0.00 0.78 -5.05 105.19 109.42 1iyb n GLY 153 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1iyb n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iyb s TYR 154 N -2.45 0.59 -0.12 1.61 1.51 -1.24 -5.01 117.35 112.24 1iyb s TYR 154 Ca 0.00 -0.47 -0.29 0.00 -1.01 0.00 0.00 57.07 55.30 1iyb s TYR 154 Cb 0.00 -0.36 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 1iyb s TYR 154 CO 0.00 -0.09 0.97 0.00 -1.11 0.00 0.00 175.55 175.32 1iyb s ALA 155 N -1.29 3.43 0.57 3.71 0.00 -1.26 -3.74 121.76 123.17 1iyb s ALA 155 Ca -0.10 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 1iyb s ALA 155 Cb -0.09 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1iyb s ALA 155 CO 0.00 -0.61 0.86 -1.25 0.00 0.00 0.00 175.76 174.75 1iyb s PRO 156 N 2.04 2.89 -0.14 0.00 0.04 -1.26 -4.63 135.00 133.94 1iyb s PRO 156 Ca 0.46 -0.15 -0.06 0.00 0.04 0.00 0.00 61.00 61.30 1iyb s PRO 156 Cb -0.18 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1iyb s PRO 156 CO 0.17 -0.65 0.06 0.20 0.04 0.00 0.00 177.00 176.82 1iyb s GLY 157 N -4.31 1.95 -0.14 0.56 0.00 0.14 -4.94 107.32 100.58 1iyb s GLY 157 Ca 0.53 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.52 1iyb s GLY 157 CO 0.43 -0.23 -0.16 -0.42 0.00 0.00 0.00 173.10 172.72 1iyb s ILE 158 N -0.32 2.65 -0.06 0.90 -1.09 -1.26 -0.19 121.20 121.83 1iyb s ILE 158 Ca 0.09 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 57.76 1iyb s ILE 158 Cb -0.12 -2.10 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 1iyb s ILE 158 CO 0.02 0.53 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.38 1iyb s GLU 159 N 0.59 2.57 0.22 2.79 2.12 0.09 -4.32 118.70 122.77 1iyb s GLU 159 Ca -0.10 -0.76 0.11 0.00 0.36 0.00 0.00 54.97 54.58 1iyb s GLU 159 Cb -0.16 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 1iyb s GLU 159 CO 0.03 0.52 -0.22 0.00 -0.54 0.00 0.00 175.26 175.06 1iyb n ASN 161 N -0.08 0.24 -4.39 0.00 2.04 -1.05 -4.76 115.26 107.25 1iyb n ASN 161 Ca -0.10 -2.13 -0.31 0.00 -0.44 0.00 0.00 54.58 51.60 1iyb n ASN 161 Cb 0.58 0.73 -0.14 0.00 -2.53 0.00 0.00 39.78 38.41 1iyb n ASN 161 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1iyb s VAL 162 N -2.55 2.48 0.00 3.53 1.01 -1.26 -1.64 120.40 121.97 1iyb s VAL 162 Ca 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1iyb s VAL 162 Cb 0.01 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1iyb s VAL 162 CO 0.12 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 174.84 1iyb n ASP 163 N 2.18 0.00 -0.06 3.32 3.85 -0.91 -4.63 116.55 120.31 1iyb n ASP 163 Ca -0.16 -0.98 -0.10 0.00 -0.71 0.00 0.00 54.79 52.83 1iyb n ASP 163 Cb 0.52 0.00 0.05 0.00 -1.35 0.00 0.00 41.12 40.33 1iyb n ASP 163 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1iyb h GLU 164 N 0.00 0.73 0.00 0.11 5.08 -1.49 -2.87 114.58 116.14 1iyb h GLU 164 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1iyb h GLU 164 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iyb h GLU 164 CO 0.00 1.00 0.00 0.43 -1.00 0.00 0.00 179.01 179.44 1iyb n SER 165 N -4.04 0.00 0.00 1.42 7.64 -1.26 -4.84 113.62 112.54 1iyb n SER 165 Ca -0.02 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1iyb n SER 165 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1iyb n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iyb n GLY 166 N 0.26 0.84 3.76 0.23 0.00 -1.08 -5.03 105.19 104.17 1iyb n GLY 166 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1iyb n GLY 166 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iyb s ASN 167 N -2.85 7.38 0.17 1.61 0.02 -1.26 -4.77 114.94 115.24 1iyb s ASN 167 Ca 0.00 2.13 -0.30 0.00 -1.02 0.00 0.00 52.86 53.67 1iyb s ASN 167 Cb 0.00 -2.62 -0.07 0.00 0.02 0.00 0.00 41.25 38.58 1iyb s ASN 167 CO 0.00 -0.05 1.06 -0.55 0.02 0.00 0.00 177.10 177.58 1iyb s SER 168 N -1.05 7.34 0.03 -1.22 0.15 -1.26 -2.14 113.70 115.56 1iyb s SER 168 Ca 0.44 2.02 -0.00 0.00 0.70 0.00 0.00 55.95 59.11 1iyb s SER 168 Cb -0.29 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.39 1iyb s SER 168 CO 0.36 -0.16 -0.03 0.00 1.20 0.00 0.00 173.24 174.62 1iyb s GLN 169 N -0.38 0.43 -0.15 5.44 -2.07 -0.65 -1.31 119.66 120.98 1iyb s GLN 169 Ca 0.48 -0.85 -0.29 0.00 -1.82 0.00 0.00 55.36 52.88 1iyb s GLN 169 Cb -0.28 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 31.74 1iyb s GLN 169 CO 0.34 -0.07 1.84 -1.17 -1.32 0.00 0.00 175.29 174.90 1iyb s LEU 170 N -2.04 3.94 -0.05 2.60 2.96 0.17 -2.53 118.68 123.73 1iyb s LEU 170 Ca -0.07 1.96 -0.09 0.00 -0.22 0.00 0.00 54.13 55.72 1iyb s LEU 170 Cb -0.03 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 1iyb s LEU 170 CO -0.05 -1.35 -0.17 0.00 -1.32 0.00 0.00 176.35 173.46 1iyb n TYR 171 N 8.91 0.00 -4.16 5.38 9.36 -0.39 -4.66 117.16 131.60 1iyb n TYR 171 Ca 0.21 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.28 1iyb n TYR 171 Cb 0.44 -0.29 -0.11 0.00 -0.63 0.00 0.00 39.34 38.75 1iyb n TYR 171 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1iyb s GLN 172 N -2.42 0.79 -0.09 2.98 -0.21 -0.56 -0.94 119.66 119.22 1iyb s GLN 172 Ca -0.15 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.22 1iyb s GLN 172 Cb 0.03 -0.58 0.01 0.00 1.00 0.00 0.00 33.01 33.47 1iyb s GLN 172 CO 0.22 0.11 -0.15 0.42 -2.12 0.00 0.00 175.29 173.76 1iyb s ILE 173 N -1.92 1.41 -0.14 1.08 1.01 -0.44 -0.73 121.20 121.47 1iyb s ILE 173 Ca 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1iyb s ILE 173 Cb -0.06 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1iyb s ILE 173 CO 0.01 0.42 -0.00 -0.31 0.00 0.00 0.00 174.94 175.06 1iyb s TYR 174 N 0.73 3.12 -0.05 3.97 1.51 0.73 -1.98 117.35 125.38 1iyb s TYR 174 Ca -0.13 -0.05 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1iyb s TYR 174 Cb -0.16 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1iyb s TYR 174 CO 0.03 0.17 -0.14 0.42 -1.11 0.00 0.00 175.55 174.92 1iyb s ILE 175 N -0.02 1.22 0.08 2.71 -1.09 -0.71 -0.69 121.20 122.69 1iyb s ILE 175 Ca 0.03 -0.57 -0.15 0.00 -2.23 0.00 0.00 60.65 57.73 1iyb s ILE 175 Cb -0.13 -1.07 -0.06 0.00 -1.58 0.00 0.00 42.46 39.62 1iyb s ILE 175 CO 0.02 0.36 0.49 0.00 -1.23 0.00 0.00 174.94 174.59 1iyb s VAL 177 N -1.25 1.59 0.79 0.00 1.01 -0.36 -1.43 120.40 120.76 1iyb s VAL 177 Ca 0.31 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1iyb s VAL 177 Cb -0.17 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 34.95 1iyb s VAL 177 CO 0.17 0.38 1.15 1.51 0.00 0.00 0.00 175.10 178.31 1iyb s ASP 178 N -0.66 3.94 0.56 3.32 -4.77 0.26 -0.76 116.67 118.55 1iyb s ASP 178 Ca 0.08 2.14 0.29 0.00 -3.30 0.00 0.00 52.55 51.75 1iyb s ASP 178 Cb -0.08 -2.56 1.47 0.00 -1.09 0.00 0.00 42.92 40.66 1iyb s ASP 178 CO -0.00 -2.42 1.93 1.23 0.70 0.00 0.00 175.17 176.60 1iyb h GLY 179 N -0.97 0.00 1.75 2.12 0.00 -1.86 0.33 103.07 104.44 1iyb h GLY 179 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1iyb h GLY 179 CO 0.48 0.00 -0.07 -1.14 0.00 0.00 0.00 176.54 175.81 1iyb n SER 180 N -3.99 0.09 -0.39 0.19 3.41 -1.26 -4.90 113.62 106.77 1iyb n SER 180 Ca 0.11 0.26 -0.05 0.00 -0.26 0.00 0.00 58.87 58.92 1iyb n SER 180 Cb 0.71 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1iyb n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iyb n GLY 181 N 1.46 0.73 0.10 5.00 0.00 0.12 -4.92 105.19 107.68 1iyb n GLY 181 Ca 0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1iyb n GLY 181 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iyb h SER 182 N 0.00 0.19 -5.16 1.61 0.02 -1.91 -3.48 113.55 104.82 1iyb h SER 182 Ca -0.11 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1iyb h SER 182 Cb 0.53 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 62.89 1iyb h SER 182 CO 0.15 1.31 -0.21 0.54 -1.14 0.00 0.00 176.83 177.48 1iyb s ASN 183 N -6.56 -0.06 0.65 3.07 2.20 -1.26 -5.04 114.94 107.95 1iyb s ASN 183 Ca -0.09 -0.61 -0.14 0.00 -0.94 0.00 0.00 52.86 51.07 1iyb s ASN 183 Cb 0.08 0.45 -0.01 0.00 -2.00 0.00 0.00 41.25 39.76 1iyb s ASN 183 CO 0.82 -0.87 1.08 -0.76 -2.94 0.00 0.00 177.10 174.43 1iyb s LEU 184 N -2.88 3.36 0.12 3.54 1.43 -1.26 -0.58 118.68 122.41 1iyb s LEU 184 Ca 0.09 1.86 -0.10 0.00 -1.03 0.00 0.00 54.13 54.95 1iyb s LEU 184 Cb 0.03 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.71 1iyb s LEU 184 CO -0.06 -1.46 0.26 0.27 0.23 0.00 0.00 176.35 175.58 1iyb s ILE 185 N -2.54 0.10 0.39 -0.59 -4.36 -0.51 -4.68 121.20 109.01 1iyb s ILE 185 Ca 0.64 -1.20 -0.25 0.00 -0.26 0.00 0.00 60.65 59.58 1iyb s ILE 185 Cb -0.17 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.92 1iyb s ILE 185 CO 0.43 -0.47 1.13 -1.61 0.24 0.00 0.00 174.94 174.67 1iyb s GLU 186 N -3.90 4.11 0.01 0.37 0.41 -1.26 -4.13 118.70 114.31 1iyb s GLU 186 Ca 0.10 1.75 -0.30 0.00 -0.41 0.00 0.00 54.97 56.11 1iyb s GLU 186 Cb 0.04 -2.67 -0.06 0.00 -1.78 0.00 0.00 34.13 29.66 1iyb s GLU 186 CO -0.07 -0.24 1.36 0.00 -0.49 0.00 0.00 175.26 175.82 1iyb h PRO 188 N 7.60 0.00 -2.07 0.00 0.11 -1.93 -3.44 132.00 132.26 1iyb h PRO 188 Ca -0.38 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 1iyb h PRO 188 Cb 1.18 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.11 1iyb h PRO 188 CO 0.89 0.09 0.23 -1.50 -0.21 0.00 0.00 178.00 177.50 1iyb s ILE 189 N -3.98 0.00 -0.02 4.15 2.07 -1.26 -5.04 121.20 117.12 1iyb s ILE 189 Ca -0.02 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.30 1iyb s ILE 189 Cb 0.12 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 1iyb s ILE 189 CO 0.55 0.00 -0.25 -0.36 -1.91 0.00 0.00 174.94 172.97 1iyb s PHE 190 N -1.51 2.26 0.84 3.50 0.08 -1.26 -5.04 117.98 116.84 1iyb s PHE 190 Ca -0.08 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.42 1iyb s PHE 190 Cb -0.00 -1.45 0.10 0.00 -0.57 0.00 0.00 43.02 41.10 1iyb s PHE 190 CO 0.06 -0.03 1.13 -2.14 -0.10 0.00 0.00 175.22 174.15 1iyb s PRO 191 N -0.62 1.72 -0.08 0.24 0.02 -1.26 -4.94 135.00 130.08 1iyb s PRO 191 Ca 0.10 0.34 -0.29 0.00 0.02 0.00 0.00 61.00 61.16 1iyb s PRO 191 Cb -0.10 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 1iyb s PRO 191 CO -0.01 -1.81 1.78 1.03 -0.33 0.00 0.00 177.00 177.66 1iyb s ARG 192 N -5.33 4.01 0.15 5.54 0.52 -1.26 -4.89 118.95 117.69 1iyb s ARG 192 Ca 0.62 2.19 0.03 0.00 -0.52 0.00 0.00 55.73 58.05 1iyb s ARG 192 Cb -0.13 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.22 1iyb s ARG 192 CO 0.52 -1.07 1.35 0.78 0.02 0.00 0.00 175.30 176.91 1iyb h GLY 193 N 11.02 0.20 -2.99 -3.53 0.00 -1.92 -3.47 103.07 102.37 1iyb h GLY 193 Ca -0.41 -0.37 -0.31 0.00 0.00 0.00 0.00 47.33 46.24 1iyb h GLY 193 CO 0.96 0.33 -0.43 0.28 0.00 0.00 0.00 176.54 177.68 1iyb n LYS 194 N -3.62 -2.78 -4.03 4.80 5.02 -1.26 -0.94 118.16 115.35 1iyb n LYS 194 Ca -0.04 0.71 -0.29 0.00 -2.02 0.00 0.00 58.31 56.67 1iyb n LYS 194 Cb 0.84 -5.08 -0.05 0.00 -0.02 0.00 0.00 35.03 30.71 1iyb n LYS 194 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iyb s GLY 196 N -2.70 1.77 0.40 0.00 0.00 -1.26 -4.97 107.32 100.55 1iyb s GLY 196 Ca 0.31 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.62 1iyb s GLY 196 CO 0.24 -0.99 2.04 1.48 0.00 0.00 0.00 173.10 175.87 1iyb h SER 197 N -0.47 0.50 -3.80 1.64 4.64 -2.00 -3.41 113.55 110.65 1iyb h SER 197 Ca -0.39 -0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.37 1iyb h SER 197 Cb 1.28 -0.12 -0.32 0.00 -0.31 0.00 0.00 62.40 62.93 1iyb h SER 197 CO 0.46 0.37 -0.83 -0.94 -0.87 0.00 0.00 176.83 175.02 1iyb s SER 198 N -6.67 1.99 0.09 4.97 1.04 -1.26 -0.94 113.70 112.92 1iyb s SER 198 Ca -0.08 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.06 1iyb s SER 198 Cb 0.17 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 1iyb s SER 198 CO 0.74 0.12 -0.11 0.27 0.98 0.00 0.00 173.24 175.24 1iyb s ILE 199 N 0.16 0.93 0.33 -1.02 -4.36 0.64 -4.89 121.20 112.99 1iyb s ILE 199 Ca -0.06 -1.52 -0.21 0.00 -0.26 0.00 0.00 60.65 58.61 1iyb s ILE 199 Cb -0.12 -1.22 -0.10 0.00 1.25 0.00 0.00 42.46 42.27 1iyb s ILE 199 CO 0.02 -0.48 0.86 -0.70 0.24 0.00 0.00 174.94 174.88 1iyb s GLU 200 N -2.46 4.29 -0.61 0.37 2.12 -0.42 -0.61 118.70 121.38 1iyb s GLU 200 Ca 0.02 1.04 0.04 0.00 0.36 0.00 0.00 54.97 56.43 1iyb s GLU 200 Cb -0.05 -2.56 0.15 0.00 0.26 0.00 0.00 34.13 31.94 1iyb s GLU 200 CO 0.00 0.19 0.39 0.12 -0.54 0.00 0.00 175.26 175.42 1iyb s PHE 201 N -1.84 3.20 0.54 5.30 5.36 -0.65 -0.65 117.98 129.24 1iyb s PHE 201 Ca 0.53 -3.17 -0.22 0.00 -0.96 0.00 0.00 56.93 53.11 1iyb s PHE 201 Cb -0.14 -2.59 -0.05 0.00 -0.34 0.00 0.00 43.02 39.90 1iyb s PHE 201 CO 0.19 -0.64 1.35 -1.25 -1.46 0.00 0.00 175.22 173.40 1iyb s PRO 202 N -0.86 3.20 0.72 10.12 0.04 -1.26 -0.97 135.00 145.99 1iyb s PRO 202 Ca 0.22 2.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.36 1iyb s PRO 202 Cb -0.13 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1iyb s PRO 202 CO -0.10 -1.14 1.08 0.95 0.04 0.00 0.00 177.00 177.83 1iyb s THR 203 N -1.31 3.61 0.00 1.26 -4.23 -1.23 -4.63 115.64 109.11 1iyb s THR 203 Ca 0.71 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1iyb s THR 203 Cb -0.40 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1iyb s THR 203 CO 0.47 -0.66 0.30 0.33 -0.54 0.00 0.00 174.62 174.53