#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uir s ASP 2 N 0.00 1.63 0.44 7.83 1.01 -1.26 -5.16 116.67 121.16 1uir s ASP 2 Ca 0.00 -1.49 -0.02 0.00 0.71 0.00 0.00 52.55 51.75 1uir s ASP 2 Cb 0.00 0.27 -0.02 0.00 1.01 0.00 0.00 42.92 44.19 1uir s ASP 2 CO 0.00 -0.81 0.69 -0.31 0.21 0.00 0.00 175.17 174.95 1uir s TYR 3 N -3.59 3.38 -4.19 4.23 2.02 -1.26 -5.01 117.35 112.93 1uir s TYR 3 Ca 0.35 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.49 1uir s TYR 3 Cb 0.06 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1uir s TYR 3 CO 0.16 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.30 1uir n GLY 4 N -2.09 0.90 3.79 0.71 0.00 -1.26 -5.08 105.19 102.16 1uir n GLY 4 Ca -0.00 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 1uir n GLY 4 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uir s MET 5 N -1.68 4.23 0.06 1.61 -1.94 -1.26 -5.03 119.30 115.28 1uir s MET 5 Ca 0.00 0.68 -0.06 0.00 -1.71 0.00 0.00 55.69 54.60 1uir s MET 5 Cb 0.00 -3.29 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 1uir s MET 5 CO 0.00 0.50 0.10 0.71 -0.01 0.00 0.00 175.02 176.33 1uir s TYR 6 N -0.62 0.25 -0.13 -0.03 1.51 -1.26 -0.71 117.35 116.35 1uir s TYR 6 Ca 0.29 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1uir s TYR 6 Cb -0.18 -0.16 -0.02 0.00 -0.11 0.00 0.00 41.96 41.48 1uir s TYR 6 CO 0.17 -0.42 -0.10 0.12 -1.11 0.00 0.00 175.55 174.20 1uir s PHE 7 N -3.25 2.87 -0.49 2.71 2.19 0.42 -4.88 117.98 117.57 1uir s PHE 7 Ca 0.00 -0.52 -0.19 0.00 0.33 0.00 0.00 56.93 56.55 1uir s PHE 7 Cb 0.03 -1.87 0.05 0.00 -1.31 0.00 0.00 43.02 39.92 1uir s PHE 7 CO -0.08 -0.14 0.61 -0.06 1.83 0.00 0.00 175.22 177.38 1uir s PHE 8 N 0.30 3.06 -0.16 10.12 0.40 -1.26 -1.46 117.98 128.98 1uir s PHE 8 Ca -0.08 -0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 55.67 1uir s PHE 8 Cb -0.15 -3.44 -0.05 0.00 0.51 0.00 0.00 43.02 39.89 1uir s PHE 8 CO 0.05 -0.97 0.25 -2.00 0.70 0.00 0.00 175.22 173.25 1uir s GLU 9 N 2.60 4.21 0.25 0.44 2.12 0.81 -4.97 118.70 124.15 1uir s GLU 9 Ca 0.16 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.22 1uir s GLU 9 Cb -0.18 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 1uir s GLU 9 CO 0.13 0.28 1.29 -1.58 -0.54 0.00 0.00 175.26 174.84 1uir s HIS 10 N 0.36 3.23 0.16 5.30 5.65 0.13 -1.47 115.29 128.65 1uir s HIS 10 Ca 0.15 1.33 0.00 0.00 0.25 0.00 0.00 55.06 56.79 1uir s HIS 10 Cb -0.13 -3.59 0.00 0.00 -1.18 0.00 0.00 32.58 27.68 1uir s HIS 10 CO 0.03 -1.73 0.00 0.28 -0.65 0.00 0.00 174.74 172.67 1uir n VAL 11 N 1.91 0.78 -4.15 0.89 0.31 -1.18 -4.65 118.33 112.24 1uir n VAL 11 Ca 0.03 0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.48 1uir n VAL 11 Cb 0.43 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.07 1uir n VAL 11 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1uir s THR 12 N -2.00 0.00 -0.52 2.52 -4.23 -0.52 -4.99 115.64 105.90 1uir s THR 12 Ca 0.00 -1.79 0.22 0.00 -1.18 0.00 0.00 61.69 58.94 1uir s THR 12 Cb 0.00 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.57 1uir s THR 12 CO 0.00 0.00 1.66 -0.81 -0.54 0.00 0.00 174.62 174.93 1uir n PRO 13 N -0.45 0.16 0.00 3.99 -0.04 -1.26 -3.11 135.00 134.29 1uir n PRO 13 Ca 0.02 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 1uir n PRO 13 Cb 0.63 -1.83 0.01 0.00 -0.04 0.00 0.00 33.50 32.27 1uir n PRO 13 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1uir n TYR 14 N -2.14 0.00 -3.84 0.54 4.02 -1.26 -4.98 117.16 109.51 1uir n TYR 14 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.73 1uir n TYR 14 Cb 0.19 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.34 1uir n TYR 14 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1uir s GLU 15 N -0.64 0.17 -0.01 -0.72 8.01 -1.18 -5.14 118.70 119.19 1uir s GLU 15 Ca 0.04 0.15 0.06 0.00 0.01 0.00 0.00 54.97 55.24 1uir s GLU 15 Cb 0.03 -0.46 -0.02 0.00 -4.31 0.00 0.00 34.13 29.38 1uir s GLU 15 CO 0.08 -0.19 -0.21 0.99 0.01 0.00 0.00 175.26 175.95 1uir s THR 16 N 1.27 1.63 -0.23 3.63 2.01 -1.26 -1.43 115.64 121.25 1uir s THR 16 Ca -0.06 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.95 1uir s THR 16 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1uir s THR 16 CO -0.02 0.45 0.12 -0.22 -0.69 0.00 0.00 174.62 174.26 1uir s LEU 17 N -0.51 3.91 -0.37 4.42 2.96 -0.54 -4.95 118.68 123.60 1uir s LEU 17 Ca 0.08 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1uir s LEU 17 Cb -0.08 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1uir s LEU 17 CO -0.01 0.06 0.17 -0.69 -1.32 0.00 0.00 176.35 174.56 1uir s VAL 18 N 1.06 4.06 -0.19 1.68 1.01 -1.26 -0.14 120.40 126.63 1uir s VAL 18 Ca 0.06 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1uir s VAL 18 Cb -0.14 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1uir s VAL 18 CO 0.04 -0.29 0.03 -0.13 0.00 0.00 0.00 175.10 174.75 1uir s ARG 19 N 1.44 3.80 0.15 2.72 0.52 -0.53 -4.91 118.95 122.13 1uir s ARG 19 Ca 0.01 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 1uir s ARG 19 Cb -0.20 -3.14 -0.08 0.00 0.52 0.00 0.00 34.95 32.05 1uir s ARG 19 CO 0.03 0.16 1.37 0.50 0.02 0.00 0.00 175.30 177.38 1uir s ARG 20 N 0.65 4.34 -0.22 3.54 3.52 -1.26 -0.43 118.95 129.08 1uir s ARG 20 Ca 0.01 2.08 -0.07 0.00 -0.13 0.00 0.00 55.73 57.62 1uir s ARG 20 Cb -0.14 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1uir s ARG 20 CO 0.02 -0.38 0.05 -1.64 -0.81 0.00 0.00 175.30 172.55 1uir s MET 21 N 0.64 3.72 0.09 5.12 -1.94 0.11 -4.59 119.30 122.45 1uir s MET 21 Ca 0.62 -0.46 -0.12 0.00 -1.71 0.00 0.00 55.69 54.02 1uir s MET 21 Cb -0.37 -3.25 -0.21 0.00 2.01 0.00 0.00 34.83 33.02 1uir s MET 21 CO 0.33 -0.04 1.21 1.49 -0.01 0.00 0.00 175.02 178.01 1uir h GLU 22 N 7.72 0.64 -1.68 2.03 4.57 -0.58 -3.40 114.58 123.88 1uir h GLU 22 Ca -0.37 -0.70 0.09 0.00 -1.18 0.00 0.00 59.36 57.21 1uir h GLU 22 Cb 1.18 0.20 -0.21 0.00 -0.16 0.00 0.00 28.75 29.75 1uir h GLU 22 CO 0.61 1.29 0.55 -0.98 -1.18 0.00 0.00 179.01 179.30 1uir s ARG 23 N -3.28 0.62 -0.22 1.92 1.70 -1.24 -4.99 118.95 113.46 1uir s ARG 23 Ca -0.09 0.06 -0.12 0.00 -0.47 0.00 0.00 55.73 55.10 1uir s ARG 23 Cb 0.07 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1uir s ARG 23 CO 0.91 -0.21 0.24 0.08 -1.08 0.00 0.00 175.30 175.24 1uir s VAL 24 N -1.52 5.31 -0.16 4.99 1.01 -1.26 -1.03 120.40 127.74 1uir s VAL 24 Ca -0.00 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 1uir s VAL 24 Cb -0.01 -3.58 -0.21 0.00 0.00 0.00 0.00 36.38 32.59 1uir s VAL 24 CO -0.00 0.32 0.48 0.40 0.00 0.00 0.00 175.10 176.30 1uir h ILE 25 N 5.00 1.30 -2.51 2.22 2.04 -1.25 -3.49 117.51 120.82 1uir h ILE 25 Ca -0.38 -2.16 -0.07 0.00 1.00 0.00 0.00 64.86 63.25 1uir h ILE 25 Cb 1.17 2.64 -0.18 0.00 -0.74 0.00 0.00 36.82 39.71 1uir h ILE 25 CO 0.68 0.44 0.05 0.00 0.00 0.00 0.00 178.15 179.32 1uir s ALA 26 N -2.31 -1.41 -0.02 1.87 0.00 -0.91 -5.01 121.76 113.97 1uir s ALA 26 Ca -0.22 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 52.36 1uir s ALA 26 Cb 0.01 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.35 1uir s ALA 26 CO 0.60 -0.41 0.48 -1.54 0.00 0.00 0.00 175.76 174.89 1uir s SER 27 N -1.55 -0.40 0.00 0.00 1.04 -1.26 0.23 113.70 111.75 1uir s SER 27 Ca -0.09 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1uir s SER 27 Cb -0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1uir s SER 27 CO 0.04 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1uir n GLY 28 N 0.98 -0.75 3.17 7.32 0.00 -0.37 -4.99 105.19 110.55 1uir n GLY 28 Ca -0.20 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1uir n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uir s LYS 29 N -0.45 0.26 0.65 1.61 2.20 -1.26 -1.50 119.74 121.26 1uir s LYS 29 Ca 0.00 0.89 0.01 0.00 -0.36 0.00 0.00 55.97 56.52 1uir s LYS 29 Cb 0.00 0.15 0.10 0.00 -1.51 0.00 0.00 37.83 36.57 1uir s LYS 29 CO 0.00 -0.25 0.91 0.95 -0.36 0.00 0.00 175.35 176.59 1uir s THR 30 N 2.38 2.28 -1.29 3.43 -4.23 -0.19 -4.95 115.64 113.07 1uir s THR 30 Ca -0.02 -0.68 0.13 0.00 -1.18 0.00 0.00 61.69 59.95 1uir s THR 30 Cb -0.12 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.32 1uir s THR 30 CO -0.11 0.00 1.38 -0.81 -0.54 0.00 0.00 174.62 174.54 1uir n PRO 31 N -2.62 0.13 -0.07 3.99 -0.04 -1.26 -3.41 135.00 131.72 1uir n PRO 31 Ca 0.13 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 1uir n PRO 31 Cb 0.60 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 1uir n PRO 31 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1uir n PHE 32 N -1.36 0.00 -3.69 0.54 3.72 -1.26 -5.09 117.46 110.32 1uir n PHE 32 Ca 0.05 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 1uir n PHE 32 Cb 0.12 -0.64 -0.02 0.00 -0.94 0.00 0.00 39.48 38.00 1uir n PHE 32 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1uir s GLN 33 N -2.32 1.53 0.19 -1.08 -2.07 -1.22 -5.10 119.66 109.59 1uir s GLN 33 Ca -0.14 -0.79 -0.08 0.00 -1.82 0.00 0.00 55.36 52.52 1uir s GLN 33 Cb 0.05 0.58 -0.07 0.00 -1.09 0.00 0.00 33.01 32.48 1uir s GLN 33 CO 0.46 -0.68 0.49 -0.51 -1.32 0.00 0.00 175.29 173.73 1uir s ASP 34 N -2.86 6.60 0.03 12.60 1.01 -1.26 -1.02 116.67 131.77 1uir s ASP 34 Ca 0.07 0.82 0.02 0.00 0.71 0.00 0.00 52.55 54.18 1uir s ASP 34 Cb -0.03 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1uir s ASP 34 CO -0.02 -0.01 -0.07 -0.72 0.21 0.00 0.00 175.17 174.56 1uir s TYR 35 N -1.72 0.59 -0.06 4.23 -0.85 -0.56 0.67 117.35 119.66 1uir s TYR 35 Ca 0.44 -0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 56.55 1uir s TYR 35 Cb -0.12 -0.36 0.04 0.00 0.38 0.00 0.00 41.96 41.90 1uir s TYR 35 CO 0.22 -0.08 0.12 -0.06 -1.52 0.00 0.00 175.55 174.24 1uir s PHE 36 N -1.13 -0.13 -0.14 -3.49 0.08 -0.56 -1.23 117.98 111.37 1uir s PHE 36 Ca -0.08 0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.39 1uir s PHE 36 Cb -0.08 -0.11 0.03 0.00 -0.57 0.00 0.00 43.02 42.29 1uir s PHE 36 CO 0.00 -0.15 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.69 1uir s LEU 37 N 1.12 1.58 0.09 -0.37 2.96 0.13 -0.30 118.68 123.91 1uir s LEU 37 Ca -0.09 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 1uir s LEU 37 Cb -0.11 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 1uir s LEU 37 CO -0.05 -0.09 -0.01 0.72 -1.32 0.00 0.00 176.35 175.60 1uir s PHE 38 N 1.55 0.76 -0.15 5.38 -0.71 -0.53 -0.67 117.98 123.61 1uir s PHE 38 Ca 0.04 -1.07 -0.20 0.00 -1.04 0.00 0.00 56.93 54.66 1uir s PHE 38 Cb -0.13 -0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 41.17 1uir s PHE 38 CO -0.10 -0.34 0.58 -2.00 -1.34 0.00 0.00 175.22 172.02 1uir s GLU 39 N -3.93 4.28 0.06 1.99 2.56 -0.19 -0.26 118.70 123.22 1uir s GLU 39 Ca 0.14 0.57 0.09 0.00 0.00 0.00 0.00 54.97 55.77 1uir s GLU 39 Cb 0.07 -3.51 -0.03 0.00 2.00 0.00 0.00 34.13 32.65 1uir s GLU 39 CO -0.04 -0.06 -0.22 -1.54 -0.56 0.00 0.00 175.26 172.83 1uir s SER 40 N 0.96 3.53 0.30 -1.70 1.04 -0.27 0.16 113.70 117.73 1uir s SER 40 Ca 0.28 -0.54 0.10 0.00 0.48 0.00 0.00 55.95 56.26 1uir s SER 40 Cb -0.16 -0.44 0.46 0.00 0.10 0.00 0.00 66.02 65.98 1uir s SER 40 CO 0.11 0.24 1.68 0.11 0.98 0.00 0.00 173.24 176.36 1uir h LYS 41 N 4.42 0.07 0.00 4.02 1.57 -1.84 -1.87 116.57 122.94 1uir h LYS 41 Ca -0.48 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.18 1uir h LYS 41 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1uir h LYS 41 CO 0.45 0.57 -0.43 0.78 -0.57 0.00 0.00 179.45 180.25 1uir h GLY 42 N 1.49 0.00 -1.96 3.86 0.00 -1.96 -3.40 103.07 101.10 1uir h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uir h GLY 42 CO 0.07 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.30 1uir n PHE 43 N -4.56 0.73 -4.45 5.60 3.72 -1.25 -4.92 117.46 112.33 1uir n PHE 43 Ca -0.17 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 1uir n PHE 43 Cb 0.52 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1uir n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uir n GLY 44 N 1.01 0.50 3.77 1.37 0.00 -0.70 -1.09 105.19 110.05 1uir n GLY 44 Ca 0.18 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1uir n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uir s LYS 45 N 0.00 4.21 -0.06 1.61 1.02 -1.26 -1.11 119.74 124.14 1uir s LYS 45 Ca 0.00 2.43 0.03 0.00 0.02 0.00 0.00 55.97 58.45 1uir s LYS 45 Cb 0.00 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1uir s LYS 45 CO 0.00 -0.43 -0.16 0.08 -0.92 0.00 0.00 175.35 173.92 1uir s VAL 46 N -0.83 1.38 -0.17 3.17 1.01 0.65 0.03 120.40 125.63 1uir s VAL 46 Ca 0.54 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1uir s VAL 46 Cb -0.44 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1uir s VAL 46 CO 0.55 0.41 -0.05 -0.22 0.00 0.00 0.00 175.10 175.79 1uir s LEU 47 N 0.32 3.07 -0.09 3.92 1.98 -0.35 -1.45 118.68 126.07 1uir s LEU 47 Ca -0.10 -0.23 0.01 0.00 -2.89 0.00 0.00 54.13 50.92 1uir s LEU 47 Cb -0.14 -1.75 -0.02 0.00 0.66 0.00 0.00 46.19 44.94 1uir s LEU 47 CO 0.04 0.11 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.87 1uir s ILE 48 N 0.69 3.28 -0.24 6.68 -1.09 0.60 0.51 121.20 131.63 1uir s ILE 48 Ca -0.03 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1uir s ILE 48 Cb -0.15 -2.34 0.03 0.00 -1.58 0.00 0.00 42.46 38.42 1uir s ILE 48 CO 0.02 0.56 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.45 1uir s LEU 49 N -0.33 3.10 0.00 2.97 1.02 -0.21 -1.50 118.68 123.73 1uir s LEU 49 Ca 0.04 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.26 1uir s LEU 49 Cb -0.13 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.46 1uir s LEU 49 CO 0.02 -0.12 0.00 0.47 0.02 0.00 0.00 176.35 176.74 1uir n ASP 50 N 4.63 0.00 0.00 2.29 10.43 0.21 -2.21 116.55 131.90 1uir n ASP 50 Ca -0.17 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.19 1uir n ASP 50 Cb 0.47 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.43 1uir n ASP 50 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 1uir n LYS 51 N 0.00 1.57 -4.93 -1.24 2.85 -1.26 -4.89 118.16 110.26 1uir n LYS 51 Ca 0.00 -1.14 -0.27 0.00 -1.05 0.00 0.00 58.31 55.85 1uir n LYS 51 Cb 0.00 -1.00 -0.15 0.00 -0.65 0.00 0.00 35.03 33.23 1uir n LYS 51 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1uir s ASP 52 N -0.64 2.39 0.31 -5.58 1.01 -0.94 -0.69 116.67 112.53 1uir s ASP 52 Ca 0.00 -0.39 -0.30 0.00 0.71 0.00 0.00 52.55 52.57 1uir s ASP 52 Cb 0.00 -0.25 -0.11 0.00 1.01 0.00 0.00 42.92 43.56 1uir s ASP 52 CO 0.00 0.23 1.57 0.54 0.21 0.00 0.00 175.17 177.72 1uir s VAL 53 N -0.53 2.08 -0.20 -1.27 0.11 -1.26 -1.04 120.40 118.28 1uir s VAL 53 Ca 0.08 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1uir s VAL 53 Cb -0.08 -3.04 -0.14 0.00 -1.53 0.00 0.00 36.38 31.58 1uir s VAL 53 CO -0.00 0.01 -0.15 1.67 -3.33 0.00 0.00 175.10 173.30 1uir n GLN 54 N 1.84 0.65 -3.50 1.54 -0.06 0.18 -4.81 117.38 113.22 1uir n GLN 54 Ca 0.07 0.10 -0.10 0.00 -2.00 0.00 0.00 57.00 55.07 1uir n GLN 54 Cb 0.38 -1.41 -0.02 0.00 -4.06 0.00 0.00 30.24 25.13 1uir n GLN 54 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1uir s SER 55 N -5.84 -0.45 -0.02 1.69 0.15 -1.07 -5.01 113.70 103.15 1uir s SER 55 Ca -0.25 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.37 1uir s SER 55 Cb 0.07 0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1uir s SER 55 CO 0.50 -0.86 -0.12 -0.89 1.20 0.00 0.00 173.24 173.07 1uir s THR 56 N -3.50 1.01 0.15 6.45 2.01 -1.26 -1.22 115.64 119.27 1uir s THR 56 Ca 0.04 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 1uir s THR 56 Cb -0.01 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1uir s THR 56 CO -0.09 0.30 1.76 -0.08 -0.69 0.00 0.00 174.62 175.81 1uir h GLU 57 N 6.16 0.57 0.00 4.92 4.81 -0.25 -0.33 114.58 130.46 1uir h GLU 57 Ca -0.33 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1uir h GLU 57 Cb 1.17 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1uir h GLU 57 CO 0.49 0.45 0.00 0.54 -0.73 0.00 0.00 179.01 179.76 1uir n ARG 58 N -4.73 0.21 0.00 1.92 1.74 -0.25 -3.94 116.66 111.61 1uir n ARG 58 Ca 0.00 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1uir n ARG 58 Cb 0.07 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1uir n ARG 58 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1uir n ASP 59 N -2.14 0.88 0.27 0.55 3.85 -1.18 -4.76 116.55 114.02 1uir n ASP 59 Ca 0.05 -1.04 0.11 0.00 -0.71 0.00 0.00 54.79 53.20 1uir n ASP 59 Cb 0.39 0.00 0.73 0.00 -1.35 0.00 0.00 41.12 40.89 1uir n ASP 59 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1uir h GLU 60 N 0.00 0.00 -0.50 0.11 -0.00 -1.17 -1.29 114.58 111.73 1uir h GLU 60 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.37 1uir h GLU 60 Cb 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.83 1uir h GLU 60 CO 0.00 0.03 0.33 0.10 -0.00 0.00 0.00 179.01 179.48 1uir h TYR 61 N 0.00 0.61 -0.18 2.06 -0.00 -1.85 0.10 116.97 117.72 1uir h TYR 61 Ca -0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 58.71 1uir h TYR 61 Cb 0.07 -0.21 -0.01 0.00 -0.00 0.00 0.00 36.73 36.58 1uir h TYR 61 CO 0.00 0.38 -0.03 0.82 -0.00 0.00 0.00 178.16 179.32 1uir h ILE 62 N 0.65 1.28 -0.05 -0.90 2.04 -1.59 -1.33 117.51 117.61 1uir h ILE 62 Ca 0.19 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1uir h ILE 62 Cb -0.03 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1uir h ILE 62 CO -0.04 0.29 0.01 0.22 0.00 0.00 0.00 178.15 178.64 1uir h TYR 63 N 0.07 0.09 -0.32 1.37 5.03 -1.34 -2.16 116.97 119.69 1uir h TYR 63 Ca 0.05 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 1uir h TYR 63 Cb 0.46 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1uir h TYR 63 CO 0.05 0.27 -0.25 0.45 -1.32 0.00 0.00 178.16 177.36 1uir h HIS 64 N -0.12 0.73 -0.36 -3.82 3.86 -0.85 -0.39 115.15 114.19 1uir h HIS 64 Ca 0.02 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 1uir h HIS 64 Cb 0.23 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1uir h HIS 64 CO 0.00 0.83 0.06 0.93 0.86 0.00 0.00 177.93 180.61 1uir h GLU 65 N 0.56 0.60 -0.57 2.45 5.08 -1.25 -1.42 114.58 120.02 1uir h GLU 65 Ca 0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1uir h GLU 65 Cb 0.73 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1uir h GLU 65 CO 0.06 0.67 0.35 1.15 -1.00 0.00 0.00 179.01 180.24 1uir h THR 66 N 0.43 1.16 -0.23 1.13 2.02 -1.20 -2.04 112.91 114.18 1uir h THR 66 Ca 0.11 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1uir h THR 66 Cb 0.36 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1uir h THR 66 CO 0.01 0.16 0.02 0.25 0.37 0.00 0.00 175.52 176.33 1uir h LEU 67 N 0.76 0.38 0.00 2.58 5.85 -0.94 -3.40 115.31 120.55 1uir h LEU 67 Ca 0.20 -0.28 -0.15 0.00 0.84 0.00 0.00 57.88 58.49 1uir h LEU 67 Cb -0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1uir h LEU 67 CO -0.04 0.56 -0.90 0.58 -0.34 0.00 0.00 178.44 178.31 1uir h VAL 68 N 0.18 0.89 -0.20 1.05 2.07 -1.23 -3.42 116.25 115.59 1uir h VAL 68 Ca 0.07 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 1uir h VAL 68 Cb 0.36 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1uir h VAL 68 CO 0.01 0.30 -0.05 0.45 0.02 0.00 0.00 177.57 178.30 1uir h HIS 69 N -1.00 0.30 -0.31 1.57 3.86 -1.57 -2.36 115.15 115.63 1uir h HIS 69 Ca -0.23 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1uir h HIS 69 Cb 1.09 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 1uir h HIS 69 CO 0.08 0.35 0.20 -1.35 0.86 0.00 0.00 177.93 178.07 1uir h PRO 70 N 0.29 0.41 -0.13 2.45 0.11 -1.76 0.36 132.00 133.73 1uir h PRO 70 Ca 0.06 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1uir h PRO 70 Cb 0.28 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1uir h PRO 70 CO 0.01 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 1uir h ALA 71 N 1.10 0.17 -0.75 -0.75 0.00 -1.80 -1.11 119.26 116.11 1uir h ALA 71 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uir h ALA 71 Cb -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1uir h ALA 71 CO -0.02 -0.14 0.45 0.52 0.00 0.00 0.00 179.25 180.06 1uir h MET 72 N -0.04 1.02 0.00 0.00 2.86 -1.27 -2.68 114.93 114.82 1uir h MET 72 Ca 0.04 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1uir h MET 72 Cb 0.35 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1uir h MET 72 CO 0.01 0.71 -0.53 -0.07 1.06 0.00 0.00 176.91 178.09 1uir h LEU 73 N 1.03 0.00 -0.29 1.22 3.38 -0.23 -3.17 115.31 117.26 1uir h LEU 73 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1uir h LEU 73 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1uir h LEU 73 CO -0.05 0.51 0.00 0.71 0.09 0.00 0.00 178.44 179.70 1uir h THR 74 N 0.00 0.00 -3.35 0.22 1.35 -0.88 -3.43 112.91 106.82 1uir h THR 74 Ca -0.01 -0.56 -0.57 0.00 -0.55 0.00 0.00 66.41 64.73 1uir h THR 74 Cb 1.40 1.50 -0.07 0.00 -1.73 0.00 0.00 68.15 69.25 1uir h THR 74 CO 0.07 0.00 0.00 -2.28 -0.25 0.00 0.00 175.52 173.06 1uir s HIS 75 N -3.23 3.53 0.47 4.73 5.65 -1.08 -4.97 115.29 120.40 1uir s HIS 75 Ca 0.08 1.07 0.13 0.00 0.25 0.00 0.00 55.06 56.59 1uir s HIS 75 Cb 0.10 -2.70 1.08 0.00 -1.18 0.00 0.00 32.58 29.88 1uir s HIS 75 CO 0.57 0.09 2.09 -1.00 -0.65 0.00 0.00 174.74 175.84 1uir h PRO 76 N 6.82 0.18 -0.85 2.88 0.13 -1.85 -3.39 132.00 135.92 1uir h PRO 76 Ca -0.40 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.58 1uir h PRO 76 Cb 1.18 -0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.12 1uir h PRO 76 CO 0.76 0.16 -0.45 -1.91 -0.23 0.00 0.00 178.00 176.32 1uir n GLU 77 N -4.48 0.51 -2.31 0.86 2.13 -1.26 -5.12 120.64 110.97 1uir n GLU 77 Ca -0.01 -1.90 -0.43 0.00 0.66 0.00 0.00 57.16 55.49 1uir n GLU 77 Cb 0.11 -1.32 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 1uir n GLU 77 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1uir s PRO 78 N 0.86 3.80 -0.18 5.31 0.04 -1.26 -4.87 135.00 138.70 1uir s PRO 78 Ca 0.30 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.67 1uir s PRO 78 Cb 0.03 -3.96 -0.12 0.00 0.04 0.00 0.00 34.50 30.49 1uir s PRO 78 CO -0.07 -1.27 -0.14 1.63 0.04 0.00 0.00 177.00 177.19 1uir n LYS 79 N 7.58 0.57 -4.80 4.56 5.02 -1.26 -2.79 118.16 127.05 1uir n LYS 79 Ca 0.16 0.09 -0.33 0.00 -2.02 0.00 0.00 58.31 56.22 1uir n LYS 79 Cb 0.46 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.96 1uir n LYS 79 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1uir s ARG 80 N -2.36 3.26 -0.00 1.97 3.00 -1.26 -0.61 118.95 122.94 1uir s ARG 80 Ca -0.23 -0.75 0.03 0.00 0.00 0.00 0.00 55.73 54.79 1uir s ARG 80 Cb 0.06 -2.56 -0.01 0.00 0.00 0.00 0.00 34.95 32.45 1uir s ARG 80 CO 0.43 0.14 -0.11 0.08 0.00 0.00 0.00 175.30 175.85 1uir s VAL 81 N 0.49 0.88 -0.09 3.52 1.01 0.22 -0.64 120.40 125.79 1uir s VAL 81 Ca -0.11 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1uir s VAL 81 Cb -0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1uir s VAL 81 CO 0.05 0.21 -0.17 -0.22 0.00 0.00 0.00 175.10 174.97 1uir s LEU 82 N -0.35 2.50 -0.17 3.92 2.96 -0.52 -0.40 118.68 126.60 1uir s LEU 82 Ca 0.04 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1uir s LEU 82 Cb -0.05 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1uir s LEU 82 CO -0.00 0.22 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.44 1uir s ILE 83 N -0.01 2.27 -0.36 6.68 1.01 0.23 -0.27 121.20 130.75 1uir s ILE 83 Ca -0.05 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 1uir s ILE 83 Cb -0.15 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.40 1uir s ILE 83 CO 0.05 0.53 0.17 -0.69 0.00 0.00 0.00 174.94 174.99 1uir s VAL 84 N 1.16 4.36 0.00 2.92 1.01 0.39 -0.82 120.40 129.42 1uir s VAL 84 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1uir s VAL 84 Cb -0.14 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1uir s VAL 84 CO -0.08 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1uir n GLY 85 N 4.95 0.62 3.33 4.51 0.00 -0.69 0.05 105.19 117.96 1uir n GLY 85 Ca -0.12 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 1uir n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uir n GLY 86 N 0.00 -0.36 0.38 -0.02 0.00 -0.34 -4.72 105.19 100.12 1uir n GLY 86 Ca 0.00 0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.35 1uir n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uir h GLY 87 N -2.33 0.00 2.00 -0.02 0.00 -1.95 -1.24 103.07 99.53 1uir h GLY 87 Ca -0.51 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 1uir h GLY 87 CO 0.49 0.00 -0.34 0.83 0.00 0.00 0.00 176.54 177.52 1uir h GLU 88 N 0.00 0.00 0.00 4.80 3.07 -1.93 -3.41 114.58 117.11 1uir h GLU 88 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1uir h GLU 88 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1uir h GLU 88 CO -0.00 0.34 0.00 0.41 -1.40 0.00 0.00 179.01 178.36 1uir n GLY 89 N -0.27 0.57 0.12 -3.84 0.00 -0.47 -3.44 105.19 97.86 1uir n GLY 89 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1uir n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uir h ALA 90 N 0.00 0.62 -0.27 4.61 0.00 -1.79 -1.46 119.26 120.98 1uir h ALA 90 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 1uir h ALA 90 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uir h ALA 90 CO 0.00 0.80 -0.09 1.15 0.00 0.00 0.00 179.25 181.11 1uir h THR 91 N 0.00 1.29 -0.50 0.00 2.02 -1.90 -1.21 112.91 112.61 1uir h THR 91 Ca -0.01 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1uir h THR 91 Cb 1.44 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1uir h THR 91 CO 0.08 0.36 0.26 0.25 0.37 0.00 0.00 175.52 176.84 1uir h LEU 92 N 0.28 0.63 -0.28 2.58 5.85 -1.85 -1.13 115.31 121.39 1uir h LEU 92 Ca 0.06 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1uir h LEU 92 Cb 0.58 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1uir h LEU 92 CO 0.03 0.56 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.40 1uir h ARG 93 N 0.66 -0.17 -0.42 1.25 2.43 -1.02 0.96 114.38 118.07 1uir h ARG 93 Ca 0.17 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1uir h ARG 93 Cb 0.08 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1uir h ARG 93 CO -0.03 -0.12 -0.04 0.93 -1.51 0.00 0.00 179.97 179.21 1uir h GLU 94 N -0.18 0.70 -0.52 0.20 4.39 -0.86 -2.77 114.58 115.54 1uir h GLU 94 Ca 0.15 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1uir h GLU 94 Cb 0.41 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1uir h GLU 94 CO -0.39 0.74 0.25 0.28 -1.16 0.00 0.00 179.01 178.73 1uir h VAL 95 N 0.65 1.20 0.00 3.13 2.07 -0.31 -2.62 116.25 120.37 1uir h VAL 95 Ca 0.13 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1uir h VAL 95 Cb 0.46 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1uir h VAL 95 CO 0.02 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.01 1uir n LEU 96 N -4.59 0.37 0.25 2.57 4.32 0.25 -2.28 117.00 117.89 1uir n LEU 96 Ca 0.02 0.62 0.16 0.00 -0.02 0.00 0.00 56.01 56.79 1uir n LEU 96 Cb 0.12 -0.61 0.60 0.00 -1.62 0.00 0.00 43.42 41.91 1uir n LEU 96 CO 0.37 -0.58 0.95 0.11 -1.22 0.00 0.00 177.39 177.03 1uir h LYS 97 N 0.00 0.00 -6.25 3.23 1.57 -1.24 -3.41 116.57 110.47 1uir h LYS 97 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1uir h LYS 97 Cb 0.18 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.40 1uir h LYS 97 CO 0.00 0.00 0.72 -1.01 -0.57 0.00 0.00 179.45 178.59 1uir s HIS 98 N -3.56 2.80 -0.04 -1.35 3.76 -0.96 -4.78 115.29 111.15 1uir s HIS 98 Ca 0.02 0.32 0.22 0.00 -0.15 0.00 0.00 55.06 55.48 1uir s HIS 98 Cb 0.09 -4.19 1.19 0.00 1.11 0.00 0.00 32.58 30.77 1uir s HIS 98 CO 0.54 -1.31 1.64 -1.00 -0.85 0.00 0.00 174.74 173.76 1uir h PRO 99 N 9.27 0.00 0.00 8.40 0.13 -1.81 -0.83 132.00 147.16 1uir h PRO 99 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1uir h PRO 99 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1uir h PRO 99 CO 1.09 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.65 1uir h THR 100 N 0.00 0.00 -2.82 1.56 1.35 -1.91 -3.44 112.91 107.64 1uir h THR 100 Ca 0.00 -0.60 -0.53 0.00 -0.55 0.00 0.00 66.41 64.73 1uir h THR 100 Cb 0.17 1.55 0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1uir h THR 100 CO 0.00 0.00 0.88 -0.69 -0.25 0.00 0.00 175.52 175.46 1uir s VAL 101 N -3.28 3.07 -0.11 6.82 1.01 -0.32 -4.18 120.40 123.42 1uir s VAL 101 Ca 0.07 0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.80 1uir s VAL 101 Cb 0.09 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 32.91 1uir s VAL 101 CO 0.57 0.02 0.04 -0.62 0.00 0.00 0.00 175.10 175.11 1uir n GLU 102 N 4.77 2.19 -3.74 2.72 1.02 0.22 -5.00 120.64 122.82 1uir n GLU 102 Ca 0.14 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 1uir n GLU 102 Cb 0.41 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.43 1uir n GLU 102 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1uir s LYS 103 N -2.27 0.34 -0.22 3.49 2.20 -0.79 -4.68 119.74 117.81 1uir s LYS 103 Ca -0.05 0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1uir s LYS 103 Cb 0.03 0.07 0.07 0.00 -1.51 0.00 0.00 37.83 36.49 1uir s LYS 103 CO 0.45 -0.09 0.02 0.00 -0.36 0.00 0.00 175.35 175.37 1uir s ALA 104 N 0.66 1.33 -0.18 3.13 0.00 -0.51 -0.61 121.76 125.59 1uir s ALA 104 Ca -0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 1uir s ALA 104 Cb -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1uir s ALA 104 CO -0.04 -1.26 0.33 0.08 0.00 0.00 0.00 175.76 174.87 1uir s VAL 105 N 1.70 5.27 -0.16 0.00 1.01 0.46 -1.34 120.40 127.34 1uir s VAL 105 Ca -0.01 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1uir s VAL 105 Cb -0.18 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1uir s VAL 105 CO -0.10 0.33 -0.18 -0.32 0.00 0.00 0.00 175.10 174.83 1uir s MET 106 N 0.81 3.11 -0.13 2.72 -2.45 -0.18 0.74 119.30 123.92 1uir s MET 106 Ca 0.17 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 53.84 1uir s MET 106 Cb -0.14 -2.58 0.01 0.00 1.25 0.00 0.00 34.83 33.38 1uir s MET 106 CO 0.06 -0.07 -0.20 0.54 1.05 0.00 0.00 175.02 176.40 1uir s VAL 107 N 0.99 1.87 -0.06 10.11 0.11 -0.00 0.54 120.40 133.96 1uir s VAL 107 Ca -0.02 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 58.10 1uir s VAL 107 Cb -0.15 -1.67 0.01 0.00 -1.53 0.00 0.00 36.38 33.05 1uir s VAL 107 CO -0.04 0.51 0.16 -0.62 -3.33 0.00 0.00 175.10 171.78 1uir s ASP 108 N 0.87 -0.15 0.28 3.54 3.68 -0.40 -1.70 116.67 122.78 1uir s ASP 108 Ca -0.07 0.29 0.08 0.00 2.13 0.00 0.00 52.55 54.98 1uir s ASP 108 Cb -0.15 0.33 0.38 0.00 -1.45 0.00 0.00 42.92 42.03 1uir s ASP 108 CO -0.02 -0.08 1.64 -0.29 0.13 0.00 0.00 175.17 176.54 1uir h ILE 109 N 4.83 1.39 -3.36 4.11 6.09 -1.83 -2.02 117.51 126.72 1uir h ILE 109 Ca -0.26 -1.89 -0.77 0.00 -1.37 0.00 0.00 64.86 60.58 1uir h ILE 109 Cb 1.20 1.98 -0.24 0.00 0.47 0.00 0.00 36.82 40.23 1uir h ILE 109 CO 0.40 0.55 0.42 -0.62 -3.07 0.00 0.00 178.15 175.83 1uir s ASP 110 N -6.88 6.87 0.34 2.19 3.68 -1.26 -4.55 116.67 117.06 1uir s ASP 110 Ca -0.03 -2.76 0.04 0.00 2.13 0.00 0.00 52.55 51.93 1uir s ASP 110 Cb 0.13 -2.26 0.61 0.00 -1.45 0.00 0.00 42.92 39.94 1uir s ASP 110 CO 0.77 -0.63 1.90 1.23 0.13 0.00 0.00 175.17 178.57 1uir h GLY 111 N 8.25 0.64 1.02 2.66 0.00 -1.96 -2.46 103.07 111.22 1uir h GLY 111 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1uir h GLY 111 CO 0.91 0.32 0.17 0.83 0.00 0.00 0.00 176.54 178.78 1uir h GLU 112 N 0.59 0.96 -0.46 4.80 5.08 -1.99 -1.53 114.58 122.03 1uir h GLU 112 Ca 0.13 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1uir h GLU 112 Cb 0.23 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1uir h GLU 112 CO -0.00 0.87 0.27 1.25 -1.00 0.00 0.00 179.01 180.39 1uir h LEU 113 N 0.88 0.56 -1.06 1.33 7.12 -1.88 -0.95 115.31 121.31 1uir h LEU 113 Ca 0.19 -0.07 0.09 0.00 0.13 0.00 0.00 57.88 58.22 1uir h LEU 113 Cb 0.32 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.24 1uir h LEU 113 CO -0.00 0.47 0.63 0.58 -0.13 0.00 0.00 178.44 179.98 1uir h VAL 114 N 0.61 1.02 -0.64 1.05 2.07 -1.18 -0.03 116.25 119.15 1uir h VAL 114 Ca 0.16 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1uir h VAL 114 Cb 0.02 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.63 1uir h VAL 114 CO -0.03 0.19 0.26 -0.33 0.02 0.00 0.00 177.57 177.69 1uir h GLU 115 N 1.06 0.93 -0.69 1.57 4.39 -0.17 -0.01 114.58 121.66 1uir h GLU 115 Ca 0.44 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 1uir h GLU 115 Cb 0.30 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1uir h GLU 115 CO -0.19 0.75 0.28 0.28 -1.16 0.00 0.00 179.01 178.97 1uir h VAL 116 N 0.91 1.24 0.09 3.13 2.07 0.17 -1.49 116.25 122.37 1uir h VAL 116 Ca 0.22 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1uir h VAL 116 Cb 0.16 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1uir h VAL 116 CO -0.02 0.30 -0.04 0.00 0.02 0.00 0.00 177.57 177.83 1uir h ALA 117 N 1.13 -0.12 -0.59 1.67 0.00 -0.65 0.31 119.26 121.01 1uir h ALA 117 Ca 0.23 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1uir h ALA 117 Cb 0.20 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1uir h ALA 117 CO -0.02 -0.49 0.08 0.87 0.00 0.00 0.00 179.25 179.69 1uir h LYS 118 N -0.27 0.20 0.07 0.00 1.57 -0.84 0.32 116.57 117.61 1uir h LYS 118 Ca -0.01 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1uir h LYS 118 Cb 0.23 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.51 1uir h LYS 118 CO 0.02 0.13 -0.78 -0.09 -0.57 0.00 0.00 179.45 178.16 1uir h ARG 119 N 0.20 0.41 -0.01 3.15 2.43 -1.07 -3.40 114.38 116.09 1uir h ARG 119 Ca 0.31 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1uir h ARG 119 Cb 0.47 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1uir h ARG 119 CO -0.43 1.20 -0.10 0.72 -1.51 0.00 0.00 179.97 179.85 1uir n HIS 120 N -4.12 0.00 -2.51 2.20 8.25 0.11 -4.72 115.22 114.43 1uir n HIS 120 Ca -0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.15 1uir n HIS 120 Cb 0.78 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.90 1uir n HIS 120 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1uir n MET 121 N 0.35 2.59 0.30 -0.41 2.81 0.11 -4.84 117.12 118.04 1uir n MET 121 Ca 0.06 -3.99 0.15 0.00 -1.81 0.00 0.00 57.70 52.12 1uir n MET 121 Cb 0.29 -1.88 0.92 0.00 -0.71 0.00 0.00 33.22 31.84 1uir n MET 121 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1uir h PRO 122 N 2.67 0.00 -0.02 0.03 0.13 -1.80 -0.23 132.00 132.79 1uir h PRO 122 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1uir h PRO 122 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1uir h PRO 122 CO 0.68 0.00 0.01 0.93 -0.23 0.00 0.00 178.00 179.39 1uir h GLU 123 N 0.00 0.00 0.00 0.86 3.07 -1.92 0.19 114.58 116.78 1uir h GLU 123 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1uir h GLU 123 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1uir h GLU 123 CO 0.00 0.00 -0.19 -1.49 -1.40 0.00 0.00 179.01 175.93 1uir h TRP 124 N 0.00 0.00 -0.38 4.33 6.55 -1.35 -3.41 115.95 121.69 1uir h TRP 124 Ca 0.01 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.79 1uir h TRP 124 Cb 0.03 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 1uir h TRP 124 CO 0.00 0.00 -0.00 1.12 -1.05 0.00 0.00 178.44 178.51 1uir h HIS 125 N -0.48 0.63 -6.60 0.49 2.07 -1.52 -3.34 115.15 106.41 1uir h HIS 125 Ca 0.00 -0.07 -0.52 0.00 -2.85 0.00 0.00 60.37 56.93 1uir h HIS 125 Cb 0.19 -0.18 -0.22 0.00 2.57 0.00 0.00 27.41 29.77 1uir h HIS 125 CO -0.08 0.61 -0.78 1.04 -3.07 0.00 0.00 177.93 175.65 1uir n GLN 126 N -4.26 -2.80 -0.68 5.12 6.02 0.66 -0.55 117.38 120.89 1uir n GLN 126 Ca 0.02 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1uir n GLN 126 Cb 0.26 -5.04 0.00 0.00 1.02 0.00 0.00 30.24 26.48 1uir n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uir n GLY 127 N -1.27 1.09 0.38 1.08 0.00 -1.26 -4.95 105.19 100.26 1uir n GLY 127 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 1uir n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uir h ALA 128 N 0.00 1.93 0.00 4.61 0.00 -1.13 -0.71 119.26 123.95 1uir h ALA 128 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1uir h ALA 128 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1uir h ALA 128 CO 0.00 -0.27 -0.06 0.74 0.00 0.00 0.00 179.25 179.66 1uir h PHE 129 N 0.60 0.00 -0.39 0.00 -1.00 -1.89 -1.65 116.94 112.62 1uir h PHE 129 Ca 0.54 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.32 1uir h PHE 129 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1uir h PHE 129 CO -0.00 0.06 0.00 -0.25 -1.61 0.00 0.00 178.31 176.51 1uir n ASP 130 N -4.36 2.36 -4.74 2.17 8.00 -0.28 -4.83 116.55 114.88 1uir n ASP 130 Ca -0.03 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.12 1uir n ASP 130 Cb 0.14 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1uir n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uir s ASP 131 N -1.16 6.78 0.58 -2.24 -1.08 -0.62 -4.87 116.67 114.06 1uir s ASP 131 Ca 0.32 2.53 0.27 0.00 -0.52 0.00 0.00 52.55 55.15 1uir s ASP 131 Cb 0.17 -2.62 1.62 0.00 -1.46 0.00 0.00 42.92 40.63 1uir s ASP 131 CO 0.23 -0.61 2.12 1.55 0.52 0.00 0.00 175.17 178.98 1uir h PRO 132 N 5.19 0.00 0.00 4.34 0.13 -1.90 -0.20 132.00 139.55 1uir h PRO 132 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1uir h PRO 132 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1uir h PRO 132 CO 0.77 0.00 -0.07 0.54 -0.23 0.00 0.00 178.00 179.02 1uir n ARG 133 N -3.94 0.07 -3.25 0.86 1.74 -1.26 -4.85 116.66 106.03 1uir n ARG 133 Ca 0.01 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.76 1uir n ARG 133 Cb 0.28 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1uir n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uir s ALA 134 N -3.03 3.49 -0.19 7.54 0.00 -0.09 -1.42 121.76 128.07 1uir s ALA 134 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1uir s ALA 134 Cb 0.17 -2.70 0.04 0.00 0.00 0.00 0.00 23.12 20.63 1uir s ALA 134 CO 0.57 0.14 -0.13 0.08 0.00 0.00 0.00 175.76 176.42 1uir s VAL 135 N -0.01 1.76 -0.22 0.00 1.01 -0.45 -4.84 120.40 117.64 1uir s VAL 135 Ca 0.29 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 1uir s VAL 135 Cb -0.17 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1uir s VAL 135 CO 0.15 0.29 0.34 -0.22 0.00 0.00 0.00 175.10 175.66 1uir s LEU 136 N 1.37 4.13 -0.17 3.92 2.96 -1.26 -1.01 118.68 128.62 1uir s LEU 136 Ca 0.01 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1uir s LEU 136 Cb -0.15 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.15 1uir s LEU 136 CO -0.09 -0.07 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.01 1uir s VAL 137 N 1.39 1.85 -0.48 1.68 1.01 0.19 -4.97 120.40 121.08 1uir s VAL 137 Ca 0.16 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1uir s VAL 137 Cb -0.15 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.58 1uir s VAL 137 CO 0.08 0.49 0.57 -0.63 0.00 0.00 0.00 175.10 175.60 1uir s ILE 138 N 1.37 4.94 -0.10 2.22 1.09 -1.26 -1.28 121.20 128.19 1uir s ILE 138 Ca 0.05 -0.42 -0.33 0.00 -1.10 0.00 0.00 60.65 58.85 1uir s ILE 138 Cb -0.13 -4.22 0.14 0.00 -1.06 0.00 0.00 42.46 37.20 1uir s ILE 138 CO -0.12 -0.67 1.44 -0.62 -0.10 0.00 0.00 174.94 174.86 1uir s ASP 139 N 2.39 -0.00 -0.13 3.58 3.68 -0.76 -4.94 116.67 120.49 1uir s ASP 139 Ca 0.15 -0.00 -0.29 0.00 2.13 0.00 0.00 52.55 54.53 1uir s ASP 139 Cb -0.18 0.00 -0.02 0.00 -1.45 0.00 0.00 42.92 41.27 1uir s ASP 139 CO 0.13 -0.01 1.33 -0.62 0.13 0.00 0.00 175.17 176.13 1uir s ASP 140 N -3.12 6.91 0.58 -0.34 2.15 -1.26 -3.03 116.67 118.55 1uir s ASP 140 Ca 0.17 1.81 0.28 0.00 0.43 0.00 0.00 52.55 55.24 1uir s ASP 140 Cb 0.07 -2.54 1.59 0.00 -0.30 0.00 0.00 42.92 41.74 1uir s ASP 140 CO -0.06 -0.77 2.08 0.00 -0.17 0.00 0.00 175.17 176.24 1uir h ALA 141 N 8.32 1.92 0.01 3.66 0.00 -1.94 -0.27 119.26 130.97 1uir h ALA 141 Ca -0.30 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 1uir h ALA 141 Cb 1.12 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.95 1uir h ALA 141 CO 0.96 -0.35 -0.81 -0.09 0.00 0.00 0.00 179.25 178.95 1uir h ARG 142 N 0.00 0.53 -0.42 0.00 2.43 -1.95 -1.90 114.38 113.06 1uir h ARG 142 Ca 0.11 -0.59 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 1uir h ARG 142 Cb 0.57 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1uir h ARG 142 CO -0.00 1.21 -0.14 0.00 -1.51 0.00 0.00 179.97 179.53 1uir h ALA 143 N 0.34 0.96 -0.37 2.80 0.00 -1.72 -2.36 119.26 118.92 1uir h ALA 143 Ca -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1uir h ALA 143 Cb 1.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1uir h ALA 143 CO 0.16 0.61 0.11 -0.92 0.00 0.00 0.00 179.25 179.21 1uir h TYR 144 N 0.70 0.60 -0.14 0.00 5.03 -1.08 -1.89 116.97 120.19 1uir h TYR 144 Ca 0.11 -0.06 -0.11 0.00 2.58 0.00 0.00 58.73 61.25 1uir h TYR 144 Cb 0.62 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1uir h TYR 144 CO 0.03 0.58 -0.41 -0.07 -1.32 0.00 0.00 178.16 176.97 1uir h LEU 145 N 0.44 0.34 -0.57 2.82 3.38 -1.22 -2.61 115.31 117.89 1uir h LEU 145 Ca 0.12 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1uir h LEU 145 Cb 0.27 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1uir h LEU 145 CO -0.00 0.72 -0.68 -0.33 0.09 0.00 0.00 178.44 178.24 1uir h GLU 146 N 0.27 0.00 -0.30 1.13 5.08 -1.38 -2.91 114.58 116.46 1uir h GLU 146 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1uir h GLU 146 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1uir h GLU 146 CO 0.07 0.68 0.00 -2.13 -1.00 0.00 0.00 179.01 176.62 1uir n ARG 147 N -3.64 1.71 -3.98 2.33 0.00 -0.72 -4.89 116.66 107.49 1uir n ARG 147 Ca -0.01 -1.11 -0.08 0.00 -0.00 0.00 0.00 57.85 56.66 1uir n ARG 147 Cb 0.69 -1.25 -0.09 0.00 0.00 0.00 0.00 32.46 31.81 1uir n ARG 147 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1uir s THR 148 N -1.60 0.18 -0.09 5.15 -1.32 -1.00 -5.03 115.64 111.93 1uir s THR 148 Ca 0.21 -1.51 0.13 0.00 -1.21 0.00 0.00 61.69 59.32 1uir s THR 148 Cb 0.11 -1.43 0.26 0.00 -1.51 0.00 0.00 72.50 69.93 1uir s THR 148 CO 0.15 -0.83 1.13 -1.84 -2.21 0.00 0.00 174.62 171.01 1uir n GLU 149 N 0.03 0.79 -2.38 7.08 0.28 -1.26 -4.86 120.64 120.32 1uir n GLU 149 Ca -0.15 -2.22 -0.33 0.00 -0.16 0.00 0.00 57.16 54.30 1uir n GLU 149 Cb 0.62 -1.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.46 1uir n GLU 149 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1uir s GLU 150 N -1.70 3.67 0.14 3.44 2.12 -1.26 -5.06 118.70 120.05 1uir s GLU 150 Ca 0.25 1.27 0.09 0.00 0.36 0.00 0.00 54.97 56.94 1uir s GLU 150 Cb 0.24 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.51 1uir s GLU 150 CO -0.03 -0.53 -0.16 1.03 -0.54 0.00 0.00 175.26 175.02 1uir s ARG 151 N -3.57 1.83 0.14 4.30 1.81 -1.26 -4.80 118.95 117.40 1uir s ARG 151 Ca 0.65 -1.23 0.06 0.00 -1.72 0.00 0.00 55.73 53.50 1uir s ARG 151 Cb -0.15 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 1uir s ARG 151 CO 0.26 0.46 -0.14 0.71 -0.68 0.00 0.00 175.30 175.91 1uir s TYR 152 N -1.32 1.46 -0.05 -0.53 1.51 0.24 -4.87 117.35 113.79 1uir s TYR 152 Ca 0.20 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1uir s TYR 152 Cb -0.10 -0.75 -0.25 0.00 -0.11 0.00 0.00 41.96 40.75 1uir s TYR 152 CO 0.11 0.18 0.63 -0.44 -1.11 0.00 0.00 175.55 174.93 1uir h ASP 153 N 3.30 0.25 -3.77 2.29 3.45 -1.19 0.31 116.42 121.06 1uir h ASP 153 Ca -0.40 -0.47 -0.28 0.00 0.43 0.00 0.00 57.03 56.31 1uir h ASP 153 Cb 1.20 -0.08 -0.29 0.00 -0.56 0.00 0.00 39.33 39.60 1uir h ASP 153 CO 0.53 1.42 -0.74 -0.69 -1.57 0.00 0.00 179.24 178.19 1uir s VAL 154 N -2.59 0.19 -0.09 -1.35 1.01 -1.14 -1.55 120.40 114.88 1uir s VAL 154 Ca -0.12 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1uir s VAL 154 Cb 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.29 1uir s VAL 154 CO 0.81 0.07 -0.14 -0.69 0.00 0.00 0.00 175.10 175.15 1uir s VAL 155 N 0.10 1.33 -0.16 2.92 1.01 -0.92 -1.44 120.40 123.24 1uir s VAL 155 Ca -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1uir s VAL 155 Cb -0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1uir s VAL 155 CO -0.00 0.40 -0.09 -0.63 0.00 0.00 0.00 175.10 174.78 1uir s ILE 156 N 0.83 3.28 -0.27 2.22 -1.09 0.63 -0.97 121.20 125.83 1uir s ILE 156 Ca -0.11 -0.57 -0.06 0.00 -2.23 0.00 0.00 60.65 57.69 1uir s ILE 156 Cb -0.15 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1uir s ILE 156 CO 0.01 0.50 0.05 -0.63 -1.23 0.00 0.00 174.94 173.64 1uir s ILE 157 N 0.62 3.81 -0.60 2.92 1.01 -0.54 -0.46 121.20 127.97 1uir s ILE 157 Ca -0.05 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1uir s ILE 157 Cb -0.15 -2.91 0.20 0.00 0.01 0.00 0.00 42.46 39.61 1uir s ILE 157 CO 0.03 0.17 0.53 -0.67 0.00 0.00 0.00 174.94 175.00 1uir n ASP 158 N 4.84 2.21 -4.42 3.58 4.64 0.11 -2.33 116.55 125.18 1uir n ASP 158 Ca -0.15 -3.05 -0.22 0.00 -1.38 0.00 0.00 54.79 49.99 1uir n ASP 158 Cb 0.49 -0.68 -0.10 0.00 -1.04 0.00 0.00 41.12 39.78 1uir n ASP 158 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1uir s LEU 159 N -1.39 2.58 0.71 -2.67 1.43 -1.26 -1.20 118.68 116.87 1uir s LEU 159 Ca 0.31 -1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 1uir s LEU 159 Cb 0.05 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.37 1uir s LEU 159 CO -0.13 -0.05 1.06 0.28 0.23 0.00 0.00 176.35 177.74 1uir s THR 160 N -2.69 2.92 0.55 5.49 -1.32 -1.26 -4.95 115.64 114.37 1uir s THR 160 Ca 0.27 0.11 -0.21 0.00 -1.21 0.00 0.00 61.69 60.65 1uir s THR 160 Cb -0.03 -3.26 -0.05 0.00 -1.51 0.00 0.00 72.50 67.65 1uir s THR 160 CO 0.12 -0.31 1.25 -1.81 -2.21 0.00 0.00 174.62 171.66 1uir s ASP 161 N -4.43 5.43 -1.02 8.08 -0.00 -1.26 -4.90 116.67 118.57 1uir s ASP 161 Ca 0.59 2.51 -0.21 0.00 -0.00 0.00 0.00 52.55 55.43 1uir s ASP 161 Cb -0.11 -2.61 0.08 0.00 -0.00 0.00 0.00 42.92 40.27 1uir s ASP 161 CO 0.48 -1.44 1.38 -2.16 -0.00 0.00 0.00 175.17 173.44 1uir s PRO 162 N -3.03 3.63 -0.06 8.23 0.04 -1.26 -4.97 135.00 137.58 1uir s PRO 162 Ca 0.72 -1.37 -0.23 0.00 0.04 0.00 0.00 61.00 60.16 1uir s PRO 162 Cb -0.34 -5.25 -0.04 0.00 0.04 0.00 0.00 34.50 28.92 1uir s PRO 162 CO 0.39 -2.09 0.69 0.08 0.04 0.00 0.00 177.00 176.11 1uir s VAL 163 N 4.26 5.03 0.00 -0.36 1.01 -1.26 -0.55 120.40 128.53 1uir s VAL 163 Ca 0.43 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1uir s VAL 163 Cb -0.01 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1uir s VAL 163 CO -0.09 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1uir n GLY 164 N 3.04 0.81 0.34 4.51 0.00 -0.24 -4.53 105.19 109.14 1uir n GLY 164 Ca -0.02 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 1uir n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uir h GLU 165 N 0.00 1.08 -0.01 1.61 4.81 -1.90 -2.31 114.58 117.85 1uir h GLU 165 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1uir h GLU 165 Cb 0.00 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1uir h GLU 165 CO 0.00 0.81 0.00 -3.47 -0.73 0.00 0.00 179.01 175.62 1uir n ASP 166 N -4.34 0.12 -4.60 1.04 2.03 -1.26 -4.81 116.55 104.72 1uir n ASP 166 Ca 0.08 -1.55 -0.43 0.00 0.52 0.00 0.00 54.79 53.40 1uir n ASP 166 Cb 0.12 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.49 1uir n ASP 166 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1uir s ASN 167 N -1.46 6.47 0.38 1.67 3.84 -0.87 -4.89 114.94 120.07 1uir s ASN 167 Ca 0.23 0.78 0.26 0.00 0.21 0.00 0.00 52.86 54.34 1uir s ASN 167 Cb 0.11 -2.54 1.37 0.00 -0.55 0.00 0.00 41.25 39.63 1uir s ASN 167 CO 0.18 -1.33 1.79 1.55 -2.79 0.00 0.00 177.10 176.49 1uir h PRO 168 N 10.09 0.00 0.00 0.43 0.13 -1.89 -1.72 132.00 139.03 1uir h PRO 168 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1uir h PRO 168 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1uir h PRO 168 CO 1.09 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.86 1uir n ALA 169 N -1.84 1.64 0.03 -0.56 0.00 -1.26 -2.46 120.51 116.06 1uir n ALA 169 Ca -0.01 0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.64 1uir n ALA 169 Cb 0.07 -1.32 0.67 0.00 0.00 0.00 0.00 19.45 18.87 1uir n ALA 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uir h ARG 170 N 0.00 0.02 0.00 0.00 3.08 -1.62 0.29 114.38 116.15 1uir h ARG 170 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uir h ARG 170 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1uir h ARG 170 CO 0.00 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 1uir n LEU 171 N -4.41 0.00 -1.21 3.04 4.77 -1.03 -2.10 117.00 116.06 1uir n LEU 171 Ca 0.08 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1uir n LEU 171 Cb 0.52 -0.17 0.28 0.00 -2.33 0.00 0.00 43.42 41.72 1uir n LEU 171 CO 0.36 -0.05 0.74 0.18 -1.33 0.00 0.00 177.39 177.30 1uir n LEU 172 N -1.17 3.72 -0.41 2.23 4.77 0.10 -4.23 117.00 122.01 1uir n LEU 172 Ca 0.13 -1.92 0.05 0.00 -0.03 0.00 0.00 56.01 54.25 1uir n LEU 172 Cb 0.14 -0.41 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1uir n LEU 172 CO 0.15 0.91 0.38 -1.22 -1.33 0.00 0.00 177.39 176.29 1uir n TYR 173 N 1.45 0.00 -3.52 -1.77 4.02 -0.89 -4.91 117.16 111.54 1uir n TYR 173 Ca 0.22 -0.61 -0.20 0.00 -0.01 0.00 0.00 57.90 57.30 1uir n TYR 173 Cb 0.59 -0.12 -0.01 0.00 -0.02 0.00 0.00 39.34 39.78 1uir n TYR 173 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1uir s THR 174 N -1.53 4.38 0.35 -0.72 -4.23 -1.25 -4.66 115.64 107.98 1uir s THR 174 Ca 0.20 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1uir s THR 174 Cb 0.19 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.67 1uir s THR 174 CO -0.01 -0.24 1.91 0.58 -0.54 0.00 0.00 174.62 176.33 1uir h VAL 175 N 0.89 1.18 0.00 2.29 2.07 -0.81 -1.65 116.25 120.21 1uir h VAL 175 Ca -0.47 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1uir h VAL 175 Cb 1.25 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1uir h VAL 175 CO 0.56 0.23 -0.28 1.05 0.02 0.00 0.00 177.57 179.15 1uir h GLU 176 N 0.53 0.00 -0.12 1.57 9.09 -1.95 0.12 114.58 123.82 1uir h GLU 176 Ca 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.50 1uir h GLU 176 Cb 0.24 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1uir h GLU 176 CO 0.00 0.28 -0.04 0.35 0.05 0.00 0.00 179.01 179.65 1uir h PHE 177 N 0.00 0.26 -0.10 2.06 3.04 -1.58 -0.46 116.94 120.16 1uir h PHE 177 Ca -0.00 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.84 1uir h PHE 177 Cb 0.73 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 1uir h PHE 177 CO 0.00 0.56 -0.16 1.88 -2.02 0.00 0.00 178.31 178.57 1uir h TYR 178 N -0.10 0.17 -0.32 0.41 0.99 -1.19 -0.10 116.97 116.83 1uir h TYR 178 Ca 0.03 -0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.60 1uir h TYR 178 Cb 0.48 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 38.15 1uir h TYR 178 CO 0.06 0.32 -0.38 0.00 -0.00 0.00 0.00 178.16 178.17 1uir h ARG 179 N 0.16 0.75 -0.52 4.88 3.08 -0.79 0.15 114.38 122.09 1uir h ARG 179 Ca 0.03 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1uir h ARG 179 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1uir h ARG 179 CO 0.02 1.00 0.22 1.25 -1.07 0.00 0.00 179.97 181.39 1uir h LEU 180 N 0.62 0.70 -0.42 3.04 5.85 -0.30 0.52 115.31 125.31 1uir h LEU 180 Ca 0.06 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1uir h LEU 180 Cb 0.92 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1uir h LEU 180 CO 0.08 0.66 0.17 0.58 -0.34 0.00 0.00 178.44 179.60 1uir h VAL 181 N 0.69 1.20 -0.04 1.05 2.07 -0.75 -2.38 116.25 118.10 1uir h VAL 181 Ca 0.17 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1uir h VAL 181 Cb 0.17 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1uir h VAL 181 CO -0.02 0.22 -0.14 0.50 0.02 0.00 0.00 177.57 178.15 1uir h LYS 182 N 0.54 0.06 0.00 1.57 3.64 -0.23 -0.85 116.57 121.30 1uir h LYS 182 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1uir h LYS 182 Cb 0.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1uir h LYS 182 CO -0.01 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.37 1uir n ALA 183 N -2.51 1.65 -0.45 5.00 0.00 0.13 -2.08 120.51 122.25 1uir n ALA 183 Ca -0.02 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1uir n ALA 183 Cb 0.23 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.57 1uir n ALA 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1uir n HIS 184 N -1.98 0.78 -3.71 0.00 8.25 -0.33 -4.97 115.22 113.26 1uir n HIS 184 Ca 0.02 -0.60 -0.37 0.00 -0.26 0.00 0.00 57.72 56.51 1uir n HIS 184 Cb 0.20 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 1uir n HIS 184 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uir s LEU 185 N -1.54 4.40 1.01 2.41 1.43 -0.89 0.80 118.68 126.30 1uir s LEU 185 Ca 0.34 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 1uir s LEU 185 Cb 0.21 -2.28 0.19 0.00 0.03 0.00 0.00 46.19 44.35 1uir s LEU 185 CO 0.17 0.34 1.08 0.20 0.23 0.00 0.00 176.35 178.38 1uir s ASN 186 N -0.85 2.49 0.24 2.29 0.02 0.11 -4.80 114.94 114.44 1uir s ASN 186 Ca 0.18 1.36 -0.14 0.00 -1.02 0.00 0.00 52.86 53.24 1uir s ASN 186 Cb -0.14 -2.04 0.31 0.00 0.02 0.00 0.00 41.25 39.40 1uir s ASN 186 CO 0.07 -3.24 1.56 1.55 0.02 0.00 0.00 177.10 177.06 1uir h PRO 187 N -1.97 -0.02 -1.03 -0.60 0.13 -1.98 -0.34 132.00 126.20 1uir h PRO 187 Ca -0.54 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.03 1uir h PRO 187 Cb 1.32 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.17 1uir h PRO 187 CO 0.55 -0.01 0.72 0.41 -0.23 0.00 0.00 178.00 179.44 1uir n GLY 188 N -1.53 4.98 3.79 1.56 0.00 -1.26 -4.49 105.19 108.23 1uir n GLY 188 Ca 0.12 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1uir n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uir s GLY 189 N -1.38 1.67 -0.05 -0.02 0.00 -0.14 -4.98 107.32 102.43 1uir s GLY 189 Ca 0.57 0.19 -0.05 0.00 0.00 0.00 0.00 44.72 45.43 1uir s GLY 189 CO 0.05 0.52 0.14 0.54 0.00 0.00 0.00 173.10 174.36 1uir s VAL 190 N -2.96 0.01 -0.09 1.40 0.11 -0.59 -4.52 120.40 113.75 1uir s VAL 190 Ca 0.60 -0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1uir s VAL 190 Cb -0.16 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1uir s VAL 190 CO 0.56 -0.05 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.88 1uir s MET 191 N -0.12 3.02 0.04 1.54 1.75 0.36 -2.16 119.30 123.73 1uir s MET 191 Ca -0.02 -0.57 0.06 0.00 -1.25 0.00 0.00 55.69 53.91 1uir s MET 191 Cb -0.02 -2.65 -0.02 0.00 2.84 0.00 0.00 34.83 34.98 1uir s MET 191 CO 0.00 0.51 -0.18 0.20 -0.65 0.00 0.00 175.02 174.90 1uir s GLY 192 N -0.39 1.00 0.12 2.11 0.00 -0.14 0.07 107.32 110.10 1uir s GLY 192 Ca 0.05 -0.97 -0.24 0.00 0.00 0.00 0.00 44.72 43.56 1uir s GLY 192 CO 0.02 -0.92 0.61 -3.16 0.00 0.00 0.00 173.10 169.65 1uir s MET 193 N -1.17 1.24 0.02 2.90 0.23 -0.64 -1.46 119.30 120.41 1uir s MET 193 Ca 0.05 -0.35 -0.26 0.00 -1.03 0.00 0.00 55.69 54.10 1uir s MET 193 Cb -0.08 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 1uir s MET 193 CO 0.02 -0.52 0.82 -1.14 -2.03 0.00 0.00 175.02 172.17 1uir s GLN 194 N -3.31 4.52 -0.27 3.16 -0.44 -0.98 -1.47 119.66 120.86 1uir s GLN 194 Ca -0.01 1.14 0.10 0.00 -2.50 0.00 0.00 55.36 54.09 1uir s GLN 194 Cb -0.01 -3.40 0.46 0.00 -1.64 0.00 0.00 33.01 28.42 1uir s GLN 194 CO -0.09 0.16 1.19 0.25 0.50 0.00 0.00 175.29 177.30 1uir n THR 195 N 3.23 2.31 0.00 -0.34 -2.24 0.18 -4.81 114.28 112.61 1uir n THR 195 Ca 0.00 -3.88 0.00 0.00 -2.27 0.00 0.00 64.05 57.90 1uir n THR 195 Cb 0.50 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1uir n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uir n GLY 196 N -0.74 -0.89 3.77 3.38 0.00 -1.23 -3.86 105.19 105.62 1uir n GLY 196 Ca 0.36 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1uir n GLY 196 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1uir s MET 197 N -3.41 2.80 -0.25 1.61 0.23 -1.26 -0.69 119.30 118.32 1uir s MET 197 Ca 0.00 1.45 -0.04 0.00 -1.03 0.00 0.00 55.69 56.06 1uir s MET 197 Cb 0.00 -1.95 0.00 0.00 -1.53 0.00 0.00 34.83 31.36 1uir s MET 197 CO 0.00 -1.26 -0.00 0.42 -2.03 0.00 0.00 175.02 172.15 1uir s ILE 198 N -2.25 3.48 -0.49 3.16 1.01 -0.61 -3.93 121.20 121.58 1uir s ILE 198 Ca 0.68 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.72 1uir s ILE 198 Cb -0.22 -2.70 0.23 0.00 0.01 0.00 0.00 42.46 39.78 1uir s ILE 198 CO 0.40 0.26 0.82 -0.11 0.00 0.00 0.00 174.94 176.31 1uir n LEU 199 N 4.79 -2.80 -0.27 2.97 7.94 -1.26 -4.50 117.00 123.87 1uir n LEU 199 Ca -0.17 -3.33 0.33 0.00 -1.11 0.00 0.00 56.01 51.74 1uir n LEU 199 Cb 0.49 0.80 0.73 0.00 0.53 0.00 0.00 43.42 45.97 1uir n LEU 199 CO 0.29 1.99 1.31 -0.07 -1.11 0.00 0.00 177.39 179.80 1uir h LEU 200 N 4.27 0.00 -0.46 -1.96 3.38 -1.93 0.79 115.31 119.40 1uir h LEU 200 Ca -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1uir h LEU 200 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1uir h LEU 200 CO 0.26 0.00 -0.32 0.71 0.09 0.00 0.00 178.44 179.18 1uir h THR 201 N 0.00 0.63 0.01 0.22 1.35 -2.04 -3.36 112.91 109.72 1uir h THR 201 Ca 0.52 -1.61 -0.39 0.00 -0.55 0.00 0.00 66.41 64.38 1uir h THR 201 Cb 2.21 2.10 -0.07 0.00 -1.73 0.00 0.00 68.15 70.66 1uir h THR 201 CO -0.01 0.32 -2.43 1.41 -0.25 0.00 0.00 175.52 174.57 1uir n HIS 202 N -3.28 0.12 -3.78 4.73 8.25 0.20 -5.08 115.22 116.37 1uir n HIS 202 Ca 0.01 0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1uir n HIS 202 Cb 0.58 -1.02 -0.00 0.00 1.12 0.00 0.00 29.99 30.67 1uir n HIS 202 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1uir s HIS 203 N -2.52 -0.07 -0.31 4.41 0.00 -0.78 -4.74 115.29 111.28 1uir s HIS 203 Ca -0.32 -0.27 0.11 0.00 -3.00 0.00 0.00 55.06 51.57 1uir s HIS 203 Cb 0.09 0.66 0.46 0.00 -4.00 0.00 0.00 32.58 29.79 1uir s HIS 203 CO 0.63 -0.86 1.14 0.54 -1.00 0.00 0.00 174.74 175.19 1uir n ARG 204 N -0.53 3.03 0.07 -0.38 3.00 -1.26 -3.91 116.66 116.68 1uir n ARG 204 Ca -0.05 -4.03 -0.12 0.00 -0.01 0.00 0.00 57.85 53.63 1uir n ARG 204 Cb 0.60 -2.07 -0.05 0.00 0.00 0.00 0.00 32.46 30.94 1uir n ARG 204 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1uir h VAL 205 N 3.01 0.67 -0.34 1.55 2.07 -1.89 -0.97 116.25 120.35 1uir h VAL 205 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 1uir h VAL 205 Cb 1.35 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1uir h VAL 205 CO 0.64 0.00 0.11 -0.74 0.02 0.00 0.00 177.57 177.60 1uir h HIS 206 N -0.25 0.19 0.00 1.57 -0.00 -1.68 -0.47 115.15 114.50 1uir h HIS 206 Ca 0.03 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1uir h HIS 206 Cb 0.29 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1uir h HIS 206 CO -0.17 0.07 -0.14 -1.00 -0.00 0.00 0.00 177.93 176.69 1uir h PRO 207 N 0.24 0.00 -0.09 5.26 0.13 -1.80 -0.98 132.00 134.76 1uir h PRO 207 Ca 0.16 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.07 1uir h PRO 207 Cb 0.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.28 1uir h PRO 207 CO -0.17 0.14 -0.81 0.28 -0.23 0.00 0.00 178.00 177.21 1uir h VAL 208 N 0.00 1.33 -0.31 1.56 2.07 0.05 -0.47 116.25 120.48 1uir h VAL 208 Ca -0.00 -2.12 -0.07 0.00 0.82 0.00 0.00 66.70 65.33 1uir h VAL 208 Cb 0.40 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1uir h VAL 208 CO 0.02 0.65 -0.07 0.58 0.02 0.00 0.00 177.57 178.77 1uir h VAL 209 N 0.40 1.28 -0.44 2.57 2.07 -0.72 -1.21 116.25 120.20 1uir h VAL 209 Ca -0.06 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1uir h VAL 209 Cb 1.42 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1uir h VAL 209 CO 0.15 0.36 0.25 -0.74 0.02 0.00 0.00 177.57 177.61 1uir h HIS 210 N 0.37 0.59 -0.62 1.57 6.17 -1.15 -0.68 115.15 121.40 1uir h HIS 210 Ca 0.08 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.10 1uir h HIS 210 Cb 0.56 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.27 1uir h HIS 210 CO 0.05 0.43 0.21 -0.09 0.71 0.00 0.00 177.93 179.24 1uir h ARG 211 N 0.57 0.94 -0.37 5.26 9.65 -1.00 -0.46 114.38 128.97 1uir h ARG 211 Ca 0.16 -0.17 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 1uir h ARG 211 Cb 0.03 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 1uir h ARG 211 CO -0.03 0.80 -0.10 1.15 2.80 0.00 0.00 179.97 184.59 1uir h THR 212 N 0.91 1.28 -0.24 0.20 2.02 -0.93 -3.00 112.91 113.15 1uir h THR 212 Ca 0.21 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 1uir h THR 212 Cb 0.24 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1uir h THR 212 CO -0.01 0.39 -0.20 0.58 0.37 0.00 0.00 175.52 176.65 1uir h VAL 213 N 0.52 1.25 0.00 3.16 2.07 -0.79 -2.23 116.25 120.23 1uir h VAL 213 Ca 0.09 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1uir h VAL 213 Cb 0.62 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1uir h VAL 213 CO 0.04 0.36 -0.07 0.03 0.02 0.00 0.00 177.57 177.95 1uir h ARG 214 N 0.39 0.00 0.00 1.57 3.08 -0.96 0.20 114.38 118.66 1uir h ARG 214 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1uir h ARG 214 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1uir h ARG 214 CO 0.04 0.07 0.00 -1.91 -1.07 0.00 0.00 179.97 177.10 1uir n GLU 215 N -3.56 0.11 -0.00 0.04 4.07 -0.84 -3.58 120.64 116.89 1uir n GLU 215 Ca -0.02 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1uir n GLU 215 Cb 0.19 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.07 1uir n GLU 215 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1uir n ALA 216 N -1.44 2.04 -2.47 4.31 0.00 -0.35 -5.04 120.51 117.56 1uir n ALA 216 Ca 0.09 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 1uir n ALA 216 Cb 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.57 1uir n ALA 216 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1uir s PHE 217 N -1.93 1.78 0.06 0.00 0.08 -0.09 -4.86 117.98 113.03 1uir s PHE 217 Ca -0.00 -0.36 -0.33 0.00 0.12 0.00 0.00 56.93 56.36 1uir s PHE 217 Cb 0.01 -1.10 -0.19 0.00 -0.57 0.00 0.00 43.02 41.17 1uir s PHE 217 CO 0.04 0.04 1.59 -0.09 -0.10 0.00 0.00 175.22 176.69 1uir h ARG 218 N 5.21 -0.95 -5.03 0.44 1.12 -1.83 -3.42 114.38 109.93 1uir h ARG 218 Ca -0.41 0.06 -0.65 0.00 -1.11 0.00 0.00 59.98 57.88 1uir h ARG 218 Cb 1.15 0.21 -0.24 0.00 -0.01 0.00 0.00 29.97 31.09 1uir h ARG 218 CO 0.46 -0.63 -0.66 0.71 -3.11 0.00 0.00 179.97 176.75 1uir s TYR 219 N -5.96 3.05 -0.09 2.20 1.51 -0.08 -5.02 117.35 112.96 1uir s TYR 219 Ca -0.18 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 1uir s TYR 219 Cb 0.03 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1uir s TYR 219 CO 0.61 -0.34 -0.12 0.08 -1.11 0.00 0.00 175.55 174.68 1uir s VAL 220 N 1.32 1.18 -0.15 0.71 1.01 -1.26 -1.59 120.40 121.62 1uir s VAL 220 Ca 0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1uir s VAL 220 Cb -0.15 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.16 1uir s VAL 220 CO 0.02 0.38 -0.06 -0.13 0.00 0.00 0.00 175.10 175.31 1uir s ARG 221 N 0.99 1.43 0.46 2.72 1.81 -0.23 -5.00 118.95 121.13 1uir s ARG 221 Ca -0.08 -0.43 -0.20 0.00 -1.72 0.00 0.00 55.73 53.30 1uir s ARG 221 Cb -0.15 -1.87 -0.10 0.00 -0.45 0.00 0.00 34.95 32.38 1uir s ARG 221 CO -0.00 -0.39 0.98 -1.12 -0.68 0.00 0.00 175.30 174.09 1uir s SER 222 N 1.67 6.70 0.07 0.23 0.01 -1.26 -1.01 113.70 120.10 1uir s SER 222 Ca 0.02 1.77 -0.09 0.00 1.31 0.00 0.00 55.95 58.96 1uir s SER 222 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1uir s SER 222 CO -0.08 -0.53 0.19 -0.72 0.41 0.00 0.00 173.24 172.51 1uir s TYR 223 N -2.14 0.12 0.10 2.43 1.13 -0.35 -4.63 117.35 114.01 1uir s TYR 223 Ca 0.64 -0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 55.81 1uir s TYR 223 Cb -0.12 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.66 1uir s TYR 223 CO 0.17 -0.50 0.05 -1.59 -2.51 0.00 0.00 175.55 171.17 1uir s LYS 224 N -3.37 0.83 -0.17 -3.49 -2.85 -0.94 -0.09 119.74 109.66 1uir s LYS 224 Ca 0.01 -1.33 -0.28 0.00 -1.00 0.00 0.00 55.97 53.38 1uir s LYS 224 Cb 0.03 0.24 0.08 0.00 -2.06 0.00 0.00 37.83 36.12 1uir s LYS 224 CO -0.08 -0.22 0.74 1.21 0.10 0.00 0.00 175.35 177.10 1uir s ASN 225 N -2.99 -0.67 -0.06 0.03 3.04 -0.85 -4.73 114.94 108.72 1uir s ASN 225 Ca 0.17 1.05 -0.27 0.00 0.04 0.00 0.00 52.86 53.85 1uir s ASN 225 Cb 0.07 0.98 -0.03 0.00 -1.54 0.00 0.00 41.25 40.73 1uir s ASN 225 CO -0.03 -0.40 0.85 -2.28 -3.04 0.00 0.00 177.10 172.20 1uir s HIS 226 N -0.36 3.58 -0.51 0.43 5.65 -1.26 -0.73 115.29 122.09 1uir s HIS 226 Ca -0.04 1.45 -0.12 0.00 0.25 0.00 0.00 55.06 56.59 1uir s HIS 226 Cb -0.03 -2.98 0.13 0.00 -1.18 0.00 0.00 32.58 28.52 1uir s HIS 226 CO 0.04 -0.01 0.43 0.42 -0.65 0.00 0.00 174.74 174.96 1uir s ILE 227 N 1.14 4.67 0.18 0.89 -1.09 -0.53 -4.94 121.20 121.52 1uir s ILE 227 Ca 0.44 -1.70 -0.20 0.00 -2.23 0.00 0.00 60.65 56.96 1uir s ILE 227 Cb -0.19 -4.03 0.11 0.00 -1.58 0.00 0.00 42.46 36.77 1uir s ILE 227 CO 0.21 -0.83 1.37 -2.65 -1.23 0.00 0.00 174.94 171.82 1uir n PRO 228 N 5.01 -0.28 0.23 2.79 -0.02 -1.26 -0.52 135.00 140.96 1uir n PRO 228 Ca -0.10 1.35 0.16 0.00 -2.02 0.00 0.00 63.50 62.90 1uir n PRO 228 Cb 0.41 -2.00 0.71 0.00 -0.02 0.00 0.00 33.50 32.60 1uir n PRO 228 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1uir h GLY 229 N 0.00 0.00 0.63 -1.23 0.00 -1.94 -2.45 103.07 98.09 1uir h GLY 229 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1uir h GLY 229 CO -0.86 0.00 -1.21 0.69 0.00 0.00 0.00 176.54 175.15 1uir n PHE 230 N -2.75 0.48 -2.79 5.60 3.72 0.33 -4.96 117.46 117.10 1uir n PHE 230 Ca 0.00 0.14 -0.21 0.00 -0.05 0.00 0.00 57.45 57.33 1uir n PHE 230 Cb 0.21 -0.65 0.01 0.00 -0.94 0.00 0.00 39.48 38.11 1uir n PHE 230 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1uir n PHE 231 N -2.30 -1.58 -3.91 1.38 3.01 -0.66 -4.96 117.46 108.44 1uir n PHE 231 Ca -0.00 0.29 -0.10 0.00 1.01 0.00 0.00 57.45 58.65 1uir n PHE 231 Cb 0.51 -4.03 -0.11 0.00 -0.01 0.00 0.00 39.48 35.84 1uir n PHE 231 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1uir s LEU 232 N -6.35 1.87 -0.09 4.37 1.02 -1.24 -5.04 118.68 113.22 1uir s LEU 232 Ca 0.18 -0.27 -0.24 0.00 0.02 0.00 0.00 54.13 53.82 1uir s LEU 232 Cb -0.08 0.36 -0.03 0.00 0.02 0.00 0.00 46.19 46.46 1uir s LEU 232 CO 0.22 -0.28 0.74 0.21 0.02 0.00 0.00 176.35 177.26 1uir s ASN 233 N -1.18 6.99 0.02 2.29 3.04 -1.26 -1.46 114.94 123.39 1uir s ASN 233 Ca -0.13 1.20 0.05 0.00 0.04 0.00 0.00 52.86 54.02 1uir s ASN 233 Cb -0.07 -2.43 -0.03 0.00 -1.54 0.00 0.00 41.25 37.17 1uir s ASN 233 CO 0.00 -0.19 -0.11 -0.36 -3.04 0.00 0.00 177.10 173.40 1uir s PHE 234 N 1.13 2.76 0.11 0.43 0.08 0.09 -1.57 117.98 121.02 1uir s PHE 234 Ca 0.38 -0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.28 1uir s PHE 234 Cb -0.18 -1.55 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1uir s PHE 234 CO 0.17 0.33 0.31 0.20 -0.10 0.00 0.00 175.22 176.14 1uir s GLY 235 N -1.47 2.22 0.25 4.36 0.00 0.13 -2.00 107.32 110.81 1uir s GLY 235 Ca 0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 1uir s GLY 235 CO 0.07 -0.60 0.27 -1.36 0.00 0.00 0.00 173.10 171.48 1uir s PHE 236 N -1.60 1.09 0.08 1.90 0.08 0.87 0.50 117.98 120.91 1uir s PHE 236 Ca 0.39 -1.29 -0.25 0.00 0.12 0.00 0.00 56.93 55.90 1uir s PHE 236 Cb -0.12 -0.38 0.07 0.00 -0.57 0.00 0.00 43.02 42.01 1uir s PHE 236 CO 0.26 -0.81 0.60 -0.48 -0.10 0.00 0.00 175.22 174.68 1uir s LEU 237 N -3.18 -0.47 -0.03 -0.37 2.34 -0.54 -1.21 118.68 115.21 1uir s LEU 237 Ca 0.35 0.21 0.06 0.00 0.06 0.00 0.00 54.13 54.81 1uir s LEU 237 Cb 0.04 2.47 -0.02 0.00 -0.56 0.00 0.00 46.19 48.12 1uir s LEU 237 CO 0.15 -0.82 -0.21 -0.76 -1.06 0.00 0.00 176.35 173.65 1uir s LEU 238 N -2.19 2.35 0.00 1.48 1.02 -0.18 -1.62 118.68 119.54 1uir s LEU 238 Ca -0.03 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 53.77 1uir s LEU 238 Cb -0.01 -1.43 -0.00 0.00 0.02 0.00 0.00 46.19 44.77 1uir s LEU 238 CO -0.05 0.33 -0.01 0.00 0.02 0.00 0.00 176.35 176.65 1uir s ALA 239 N -0.67 0.04 -0.02 4.21 0.00 0.11 -1.07 121.76 124.37 1uir s ALA 239 Ca 0.11 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 1uir s ALA 239 Cb -0.10 0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.14 1uir s ALA 239 CO -0.00 -0.03 0.82 0.45 0.00 0.00 0.00 175.76 176.99 1uir s SER 240 N -0.34 -0.46 -0.12 0.00 0.15 -0.62 -0.49 113.70 111.82 1uir s SER 240 Ca -0.04 0.24 0.18 0.00 0.70 0.00 0.00 55.95 57.04 1uir s SER 240 Cb -0.02 0.44 -0.27 0.00 -1.71 0.00 0.00 66.02 64.45 1uir s SER 240 CO -0.00 -0.62 0.24 0.47 1.20 0.00 0.00 173.24 174.52 1uir n ASP 241 N 0.19 0.33 0.14 5.45 10.43 -1.26 -0.91 116.55 130.92 1uir n ASP 241 Ca -0.13 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.25 1uir n ASP 241 Cb 0.61 1.40 0.13 0.00 1.84 0.00 0.00 41.12 45.09 1uir n ASP 241 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1uir h ALA 242 N 1.35 0.77 -2.32 2.24 0.00 -1.83 -3.46 119.26 116.01 1uir h ALA 242 Ca -0.29 -0.51 0.16 0.00 0.00 0.00 0.00 54.91 54.27 1uir h ALA 242 Cb 1.62 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 1uir h ALA 242 CO 0.02 0.70 0.49 -0.59 0.00 0.00 0.00 179.25 179.86 1uir s PHE 243 N -3.23 -0.19 -0.66 0.00 -0.71 -1.26 -5.08 117.98 106.85 1uir s PHE 243 Ca 0.01 -0.07 -0.27 0.00 -1.04 0.00 0.00 56.93 55.57 1uir s PHE 243 Cb 0.10 0.61 0.03 0.00 -1.21 0.00 0.00 43.02 42.55 1uir s PHE 243 CO 0.74 -0.74 1.20 0.34 -1.34 0.00 0.00 175.22 175.41 1uir s ASP 244 N -2.82 6.28 0.57 1.98 2.15 -1.26 -4.50 116.67 119.07 1uir s ASP 244 Ca 0.10 -0.27 0.22 0.00 0.43 0.00 0.00 52.55 53.03 1uir s ASP 244 Cb -0.01 -2.54 1.19 0.00 -0.30 0.00 0.00 42.92 41.26 1uir s ASP 244 CO -0.01 -1.63 1.64 1.55 -0.17 0.00 0.00 175.17 176.55 1uir h PRO 245 N 9.76 0.00 -0.42 4.34 0.13 -1.90 0.38 132.00 144.29 1uir h PRO 245 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1uir h PRO 245 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1uir h PRO 245 CO 1.22 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.99 1uir n ALA 246 N -1.75 2.38 -1.91 -0.56 0.00 -1.26 -4.67 120.51 112.73 1uir n ALA 246 Ca -0.01 -1.05 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 1uir n ALA 246 Cb 0.43 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 19.10 1uir n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uir n ALA 247 N 1.31 6.01 -1.00 0.00 0.00 0.12 -4.90 120.51 122.05 1uir n ALA 247 Ca 0.18 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1uir n ALA 247 Cb 0.56 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.80 1uir n ALA 247 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1uir n PHE 248 N 4.26 -0.04 0.00 0.00 0.99 -1.26 -5.01 117.46 116.41 1uir n PHE 248 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.99 1uir n PHE 248 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.81 1uir n PHE 248 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1uir n SER 249 N 0.00 0.00 -0.04 4.37 2.88 -1.26 -5.04 113.62 114.52 1uir n SER 249 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1uir n SER 249 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 1uir n SER 249 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1uir h GLU 250 N 0.00 0.60 -0.58 -1.46 4.81 -1.99 -2.79 114.58 113.16 1uir h GLU 250 Ca 0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1uir h GLU 250 Cb 0.00 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1uir h GLU 250 CO 0.00 0.39 0.36 0.78 -0.73 0.00 0.00 179.01 179.81 1uir h GLY 251 N 0.61 0.83 1.03 1.92 0.00 -1.98 -1.76 103.07 103.73 1uir h GLY 251 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1uir h GLY 251 CO -0.04 0.23 -0.20 -2.08 0.00 0.00 0.00 176.54 174.45 1uir h VAL 252 N 0.71 1.28 -0.60 4.60 2.07 -1.90 -1.78 116.25 120.63 1uir h VAL 252 Ca 0.23 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1uir h VAL 252 Cb 0.02 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1uir h VAL 252 CO -0.10 0.45 0.14 0.40 0.02 0.00 0.00 177.57 178.48 1uir h ILE 253 N 0.66 1.25 -0.42 4.57 2.04 -1.44 -1.25 117.51 122.92 1uir h ILE 253 Ca 0.09 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1uir h ILE 253 Cb 0.75 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1uir h ILE 253 CO 0.06 0.34 0.22 -0.08 0.00 0.00 0.00 178.15 178.69 1uir h GLU 254 N 0.87 0.43 -0.53 2.37 4.57 -1.19 -0.27 114.58 120.82 1uir h GLU 254 Ca 0.19 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 1uir h GLU 254 Cb 0.36 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1uir h GLU 254 CO 0.00 0.28 0.15 0.00 -1.18 0.00 0.00 179.01 178.27 1uir h ALA 255 N 1.21 1.27 -0.12 2.92 0.00 -1.06 -1.56 119.26 121.92 1uir h ALA 255 Ca 0.17 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1uir h ALA 255 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1uir h ALA 255 CO -0.11 0.51 -0.64 0.00 0.00 0.00 0.00 179.25 179.01 1uir h ARG 256 N 0.77 0.46 0.03 0.00 3.08 -0.63 0.52 114.38 118.62 1uir h ARG 256 Ca 0.18 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1uir h ARG 256 Cb 0.25 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1uir h ARG 256 CO -0.01 0.95 -0.02 0.82 -1.07 0.00 0.00 179.97 180.65 1uir h ILE 257 N 0.33 1.04 -0.58 2.04 2.04 -0.65 -1.47 117.51 120.26 1uir h ILE 257 Ca -0.01 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1uir h ILE 257 Cb 1.20 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1uir h ILE 257 CO 0.11 0.06 0.21 0.03 0.00 0.00 0.00 178.15 178.56 1uir h ARG 258 N -0.14 0.89 -0.47 2.37 3.08 -1.22 -2.51 114.38 116.37 1uir h ARG 258 Ca -0.00 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.91 1uir h ARG 258 Cb 0.13 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1uir h ARG 258 CO 0.01 0.78 0.25 1.49 -1.07 0.00 0.00 179.97 181.42 1uir h GLU 259 N 0.81 0.48 -0.10 0.04 4.22 -0.75 -2.37 114.58 116.90 1uir h GLU 259 Ca 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.60 1uir h GLU 259 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1uir h GLU 259 CO -0.01 0.32 0.00 0.54 -2.18 0.00 0.00 179.01 177.67 1uir n ARG 260 N -4.88 1.42 -4.06 1.92 1.74 -0.57 -4.91 116.66 107.33 1uir n ARG 260 Ca 0.03 -0.63 -0.32 0.00 -0.77 0.00 0.00 57.85 56.16 1uir n ARG 260 Cb 0.11 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1uir n ARG 260 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1uir n ASN 261 N -0.13 -3.02 -4.69 0.55 5.03 -0.89 -4.59 115.26 107.51 1uir n ASN 261 Ca 0.14 -0.94 -0.42 0.00 0.87 0.00 0.00 54.58 54.23 1uir n ASN 261 Cb 0.21 -3.19 -0.03 0.00 -1.02 0.00 0.00 39.78 35.75 1uir n ASN 261 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1uir s LEU 262 N -7.19 4.31 -0.40 3.41 1.43 -1.04 -4.97 118.68 114.23 1uir s LEU 262 Ca 0.54 2.04 -0.21 0.00 -1.03 0.00 0.00 54.13 55.46 1uir s LEU 262 Cb -0.28 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.39 1uir s LEU 262 CO 0.89 -0.68 0.67 0.00 0.23 0.00 0.00 176.35 177.46 1uir s ALA 263 N 2.30 3.40 -0.03 4.21 0.00 -1.26 -4.93 121.76 125.45 1uir s ALA 263 Ca 0.62 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1uir s ALA 263 Cb -0.30 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1uir s ALA 263 CO 0.25 -1.57 -0.22 -0.51 0.00 0.00 0.00 175.76 173.71 1uir s LEU 264 N 2.86 2.29 -0.01 0.00 1.43 -1.26 -5.02 118.68 118.98 1uir s LEU 264 Ca 0.25 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 1uir s LEU 264 Cb -0.14 -1.41 -0.13 0.00 0.03 0.00 0.00 46.19 44.54 1uir s LEU 264 CO 0.17 0.33 0.20 0.54 0.23 0.00 0.00 176.35 177.82 1uir n ARG 265 N 2.37 0.67 -0.00 1.70 1.74 -1.26 -4.86 116.66 117.03 1uir n ARG 265 Ca -0.16 -0.07 -0.04 0.00 -0.77 0.00 0.00 57.85 56.81 1uir n ARG 265 Cb 0.51 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.78 1uir n ARG 265 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1uir n HIS 266 N -1.73 0.00 -1.99 -1.55 -0.00 -1.26 -5.07 115.22 103.63 1uir n HIS 266 Ca -0.01 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.84 1uir n HIS 266 Cb 0.21 -0.18 0.02 0.00 -0.12 0.00 0.00 29.99 29.92 1uir n HIS 266 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1uir s LEU 267 N -7.18 3.51 0.15 0.27 1.43 -1.26 -5.04 118.68 110.57 1uir s LEU 267 Ca -0.09 1.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 1uir s LEU 267 Cb 0.02 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1uir s LEU 267 CO 0.14 -1.34 0.02 0.42 0.23 0.00 0.00 176.35 175.82 1uir s THR 268 N -2.28 0.43 0.10 5.49 -4.23 -1.26 -4.86 115.64 109.03 1uir s THR 268 Ca 0.66 -1.95 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 1uir s THR 268 Cb -0.19 -2.07 -0.12 0.00 1.34 0.00 0.00 72.50 71.46 1uir s THR 268 CO 0.36 -0.49 1.73 0.00 -0.54 0.00 0.00 174.62 175.69 1uir h ALA 269 N 2.77 0.05 -0.11 3.99 0.00 -1.93 -1.00 119.26 123.04 1uir h ALA 269 Ca -0.36 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1uir h ALA 269 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1uir h ALA 269 CO 0.61 -0.48 -0.23 -1.00 0.00 0.00 0.00 179.25 178.15 1uir h PRO 270 N 0.02 0.19 -0.24 0.00 0.13 -1.97 -2.28 132.00 127.84 1uir h PRO 270 Ca 0.03 -0.06 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 1uir h PRO 270 Cb 0.03 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1uir h PRO 270 CO -0.05 0.42 -0.50 -0.92 -0.23 0.00 0.00 178.00 176.72 1uir h TYR 271 N 0.17 0.97 -0.41 1.56 5.03 -1.90 -1.18 116.97 121.22 1uir h TYR 271 Ca 0.03 -0.36 0.04 0.00 2.58 0.00 0.00 58.73 61.03 1uir h TYR 271 Cb 0.52 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 1uir h TYR 271 CO 0.01 1.16 0.16 1.25 -1.32 0.00 0.00 178.16 179.42 1uir h LEU 272 N 0.50 0.19 -0.65 2.82 6.46 -1.07 -1.59 115.31 121.97 1uir h LEU 272 Ca 0.00 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1uir h LEU 272 Cb 1.11 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 1uir h LEU 272 CO 0.11 0.15 0.38 -0.08 -0.62 0.00 0.00 178.44 178.38 1uir h GLU 273 N 0.33 0.90 0.00 1.25 4.81 -1.29 -2.58 114.58 118.00 1uir h GLU 273 Ca 0.18 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1uir h GLU 273 Cb 0.15 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1uir h GLU 273 CO -0.17 0.66 -0.06 0.00 -0.73 0.00 0.00 179.01 178.70 1uir h ALA 274 N 1.19 1.25 0.00 2.92 0.00 -0.48 -2.38 119.26 121.75 1uir h ALA 274 Ca 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1uir h ALA 274 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uir h ALA 274 CO -0.04 0.08 -0.02 0.52 0.00 0.00 0.00 179.25 179.79 1uir h MET 275 N 0.00 0.00 -0.00 0.00 2.86 -0.89 -1.20 114.93 115.70 1uir h MET 275 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uir h MET 275 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1uir h MET 275 CO 0.01 0.02 -0.15 1.19 1.06 0.00 0.00 176.91 179.04 1uir n PHE 276 N -3.33 0.00 -3.07 -0.22 3.72 -0.90 -2.22 117.46 111.44 1uir n PHE 276 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1uir n PHE 276 Cb 0.13 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 1uir n PHE 276 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1uir s VAL 277 N -2.55 4.86 0.16 -4.37 1.01 -0.46 -4.90 120.40 114.16 1uir s VAL 277 Ca 0.26 0.74 0.06 0.00 0.00 0.00 0.00 61.98 63.03 1uir s VAL 277 Cb 0.20 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1uir s VAL 277 CO 0.50 -0.29 0.09 -0.76 0.00 0.00 0.00 175.10 174.63 1uir s LEU 278 N 2.77 3.65 0.72 3.92 1.02 -1.26 -4.97 118.68 124.54 1uir s LEU 278 Ca 0.26 -0.20 -0.11 0.00 0.02 0.00 0.00 54.13 54.10 1uir s LEU 278 Cb -0.14 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.81 1uir s LEU 278 CO 0.14 0.09 1.10 -2.16 0.02 0.00 0.00 176.35 175.53 1uir s PRO 279 N -2.98 2.73 0.19 1.29 0.04 -1.26 -4.86 135.00 130.15 1uir s PRO 279 Ca 0.30 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 1uir s PRO 279 Cb -0.10 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.62 1uir s PRO 279 CO 0.22 -1.14 1.76 -0.22 0.04 0.00 0.00 177.00 177.66 1uir h LYS 280 N -0.73 0.41 -0.77 4.56 3.64 -2.00 -1.52 116.57 120.16 1uir h LYS 280 Ca -0.45 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1uir h LYS 280 Cb 1.25 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1uir h LYS 280 CO 0.63 0.27 0.30 0.38 -2.27 0.00 0.00 179.45 178.75 1uir h ASP 281 N 0.42 1.07 -0.35 4.20 3.04 -1.99 -1.07 116.42 121.72 1uir h ASP 281 Ca 0.25 -0.18 -0.09 0.00 -3.24 0.00 0.00 57.03 53.77 1uir h ASP 281 Cb 0.24 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.24 1uir h ASP 281 CO -0.23 0.95 -0.14 0.25 -2.04 0.00 0.00 179.24 178.03 1uir h LEU 282 N 1.11 0.74 -0.64 0.15 5.85 -1.86 -1.11 115.31 119.56 1uir h LEU 282 Ca 0.25 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1uir h LEU 282 Cb 0.23 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1uir h LEU 282 CO -0.02 0.96 0.35 -0.07 -0.34 0.00 0.00 178.44 179.32 1uir h LEU 283 N 0.51 0.51 -0.49 2.25 3.38 -1.08 0.66 115.31 121.05 1uir h LEU 283 Ca 0.08 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1uir h LEU 283 Cb 0.67 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1uir h LEU 283 CO 0.05 0.34 0.09 -0.33 0.09 0.00 0.00 178.44 178.68 1uir h GLU 284 N 0.65 0.81 -0.58 1.13 5.08 -1.02 -0.23 114.58 120.41 1uir h GLU 284 Ca 0.28 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1uir h GLU 284 Cb 0.18 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1uir h GLU 284 CO -0.18 0.80 0.37 0.00 -1.00 0.00 0.00 179.01 179.01 1uir h ALA 285 N 0.98 0.74 -0.17 3.43 0.00 -0.54 -0.28 119.26 123.41 1uir h ALA 285 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uir h ALA 285 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1uir h ALA 285 CO 0.01 0.19 0.10 -0.07 0.00 0.00 0.00 179.25 179.47 1uir h LEU 286 N 0.79 0.21 -0.72 0.00 3.38 -0.64 -2.81 115.31 115.51 1uir h LEU 286 Ca 0.21 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1uir h LEU 286 Cb -0.06 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1uir h LEU 286 CO -0.04 0.22 0.48 -0.33 0.09 0.00 0.00 178.44 178.86 1uir h GLU 287 N 0.18 0.95 0.00 1.13 5.08 -0.62 -3.12 114.58 118.18 1uir h GLU 287 Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uir h GLU 287 Cb 0.06 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1uir h GLU 287 CO -0.01 0.63 -0.20 0.36 -1.00 0.00 0.00 179.01 178.79 1uir n LYS 288 N -4.58 0.25 -1.72 2.33 2.85 -0.15 -4.90 118.16 112.23 1uir n LYS 288 Ca 0.07 0.16 -0.42 0.00 -1.05 0.00 0.00 58.31 57.07 1uir n LYS 288 Cb 0.02 -1.75 -0.03 0.00 -0.65 0.00 0.00 35.03 32.62 1uir n LYS 288 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1uir n GLU 289 N -2.17 2.68 -0.00 -1.58 4.07 -1.06 -4.91 120.64 117.66 1uir n GLU 289 Ca 0.05 0.96 0.02 0.00 -0.06 0.00 0.00 57.16 58.14 1uir n GLU 289 Cb 0.43 -2.78 -0.03 0.00 -0.06 0.00 0.00 31.44 28.99 1uir n GLU 289 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1uir n THR 290 N 3.36 0.00 -2.12 6.31 -2.24 -1.26 -4.97 114.28 113.36 1uir n THR 290 Ca 0.14 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1uir n THR 290 Cb 0.35 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1uir n THR 290 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1uir s MET 291 N -1.80 4.25 -0.21 -0.78 0.00 -1.26 -5.00 119.30 114.50 1uir s MET 291 Ca 0.00 2.09 0.01 0.00 0.00 0.00 0.00 55.69 57.80 1uir s MET 291 Cb 0.04 -3.58 0.04 0.00 0.00 0.00 0.00 34.83 31.32 1uir s MET 291 CO 0.21 -0.63 -0.12 0.08 0.00 0.00 0.00 175.02 174.55 1uir s VAL 292 N 2.50 1.86 0.10 10.11 1.01 -1.26 -4.15 120.40 130.57 1uir s VAL 292 Ca 0.67 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1uir s VAL 292 Cb -0.34 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 1uir s VAL 292 CO 0.28 0.19 1.19 -0.55 0.00 0.00 0.00 175.10 176.22 1uir s SER 293 N 1.30 7.09 0.09 3.32 0.15 -1.26 -4.91 113.70 119.48 1uir s SER 293 Ca -0.02 2.08 0.01 0.00 0.70 0.00 0.00 55.95 58.72 1uir s SER 293 Cb -0.17 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1uir s SER 293 CO -0.08 -0.43 -0.05 0.42 1.20 0.00 0.00 173.24 174.30 1uir s THR 294 N 0.68 0.55 0.41 6.45 -4.23 -1.12 -0.12 115.64 118.27 1uir s THR 294 Ca 0.57 -1.90 0.10 0.00 -1.18 0.00 0.00 61.69 59.28 1uir s THR 294 Cb -0.30 -1.65 0.30 0.00 1.34 0.00 0.00 72.50 72.19 1uir s THR 294 CO 0.31 -0.89 1.99 0.44 -0.54 0.00 0.00 174.62 175.93 1uir h ASP 295 N 3.01 0.46 -0.35 3.99 3.45 -1.95 0.75 116.42 125.78 1uir h ASP 295 Ca -0.35 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.04 1uir h ASP 295 Cb 1.16 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.82 1uir h ASP 295 CO 0.65 0.30 -0.08 -0.61 -1.57 0.00 0.00 179.24 177.93 1uir h GLN 296 N 0.52 0.67 -2.21 3.56 5.75 -1.95 -3.37 115.11 118.07 1uir h GLN 296 Ca 0.25 -0.26 -0.58 0.00 -0.15 0.00 0.00 58.65 57.92 1uir h GLN 296 Cb 0.33 -0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.44 1uir h GLN 296 CO -0.07 0.83 -0.93 0.09 -2.65 0.00 0.00 178.83 176.10 1uir n ASN 297 N -4.41 1.00 -4.77 -0.69 3.02 -0.51 -2.43 115.26 106.47 1uir n ASN 297 Ca -0.02 -2.82 -0.40 0.00 -0.03 0.00 0.00 54.58 51.31 1uir n ASN 297 Cb 0.34 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1uir n ASN 297 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1uir s PRO 298 N -1.19 4.25 0.47 3.52 0.04 0.25 -2.77 135.00 139.57 1uir s PRO 298 Ca 0.35 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.39 1uir s PRO 298 Cb 0.12 -2.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 1uir s PRO 298 CO -0.12 -0.25 0.92 -0.59 0.04 0.00 0.00 177.00 177.00 1uir s PHE 299 N -1.19 3.45 0.20 0.56 -0.12 -1.26 -3.47 117.98 116.15 1uir s PHE 299 Ca 0.51 1.36 -0.10 0.00 -0.05 0.00 0.00 56.93 58.65 1uir s PHE 299 Cb -0.38 -2.70 -0.01 0.00 -0.63 0.00 0.00 43.02 39.30 1uir s PHE 299 CO 0.50 -0.27 0.36 1.52 -0.05 0.00 0.00 175.22 177.28 1uir s TYR 300 N -2.51 0.44 -0.27 3.49 1.13 0.75 -4.81 117.35 115.58 1uir s TYR 300 Ca 0.57 -0.78 -0.11 0.00 -1.41 0.00 0.00 57.07 55.34 1uir s TYR 300 Cb -0.10 0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.72 1uir s TYR 300 CO 0.30 -0.83 0.17 0.08 -2.51 0.00 0.00 175.55 172.76 1uir s VAL 301 N -4.00 5.24 0.77 -3.49 1.01 0.29 -0.85 120.40 119.37 1uir s VAL 301 Ca 0.21 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1uir s VAL 301 Cb 0.02 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1uir s VAL 301 CO 0.05 0.28 1.08 0.42 0.00 0.00 0.00 175.10 176.93 1uir s THR 302 N 1.58 3.37 -0.30 3.92 -4.23 0.78 -1.08 115.64 119.68 1uir s THR 302 Ca 0.07 0.45 0.15 0.00 -1.18 0.00 0.00 61.69 61.18 1uir s THR 302 Cb -0.15 -3.18 0.15 0.00 1.34 0.00 0.00 72.50 70.65 1uir s THR 302 CO 0.09 -0.58 1.42 -0.81 -0.54 0.00 0.00 174.62 174.20 1uir n PRO 303 N -3.34 0.10 -0.38 3.99 -0.04 -1.26 0.11 135.00 134.18 1uir n PRO 303 Ca 0.07 0.58 0.07 0.00 -0.04 0.00 0.00 63.50 64.19 1uir n PRO 303 Cb 0.55 -1.90 0.25 0.00 -0.04 0.00 0.00 33.50 32.36 1uir n PRO 303 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uir n GLU 304 N -2.03 2.68 -1.68 0.54 4.71 -1.26 -4.71 120.64 118.88 1uir n GLU 304 Ca -0.01 -1.98 -0.15 0.00 -0.01 0.00 0.00 57.16 55.01 1uir n GLU 304 Cb 0.10 -1.60 -0.05 0.00 -1.01 0.00 0.00 31.44 28.89 1uir n GLU 304 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uir n GLY 305 N 1.06 0.98 3.87 0.62 0.00 0.31 -4.64 105.19 107.39 1uir n GLY 305 Ca 0.18 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1uir n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uir s GLU 306 N -3.68 3.20 -0.22 1.61 2.02 -1.24 -4.60 118.70 115.78 1uir s GLU 306 Ca 0.00 -0.62 -0.24 0.00 0.02 0.00 0.00 54.97 54.13 1uir s GLU 306 Cb 0.00 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 1uir s GLU 306 CO 0.00 0.56 0.81 0.00 0.02 0.00 0.00 175.26 176.65 1uir s ALA 307 N -1.58 3.61 0.10 5.21 0.00 -1.26 -0.15 121.76 127.69 1uir s ALA 307 Ca 0.33 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1uir s ALA 307 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1uir s ALA 307 CO 0.26 -0.84 -0.09 0.50 0.00 0.00 0.00 175.76 175.59 1uir s ARG 308 N 2.62 0.85 0.14 0.00 3.52 -0.03 -4.95 118.95 121.09 1uir s ARG 308 Ca 0.35 -1.19 0.10 0.00 -0.13 0.00 0.00 55.73 54.86 1uir s ARG 308 Cb -0.16 -0.48 -0.04 0.00 -1.56 0.00 0.00 34.95 32.72 1uir s ARG 308 CO 0.09 0.06 -0.20 -0.65 -0.81 0.00 0.00 175.30 173.79 1uir s GLN 309 N -2.97 1.70 -0.19 5.12 -0.21 -1.26 -0.18 119.66 121.67 1uir s GLN 309 Ca 0.07 -1.28 -0.28 0.00 0.02 0.00 0.00 55.36 53.89 1uir s GLN 309 Cb -0.02 -2.04 0.10 0.00 1.00 0.00 0.00 33.01 32.06 1uir s GLN 309 CO -0.01 0.46 0.88 0.00 -2.12 0.00 0.00 175.29 174.50 1uir s ALA 310 N -1.27 -1.88 0.24 6.09 0.00 -1.23 -5.02 121.76 118.69 1uir s ALA 310 Ca 0.18 1.68 -0.31 0.00 0.00 0.00 0.00 51.96 53.51 1uir s ALA 310 Cb -0.10 -0.83 -0.12 0.00 0.00 0.00 0.00 23.12 22.07 1uir s ALA 310 CO 0.10 -0.31 1.65 -0.35 0.00 0.00 0.00 175.76 176.85 1uir n PRO 311 N 1.54 2.67 -2.13 0.00 -0.04 -1.26 -3.56 135.00 132.22 1uir n PRO 311 Ca -0.14 0.96 -0.35 0.00 -0.04 0.00 0.00 63.50 63.93 1uir n PRO 311 Cb 0.57 -2.77 0.02 0.00 -0.04 0.00 0.00 33.50 31.27 1uir n PRO 311 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1uir s TYR 312 N 0.68 2.56 0.00 0.54 6.04 -1.02 -4.98 117.35 121.17 1uir s TYR 312 Ca 0.71 1.53 0.00 0.00 0.04 0.00 0.00 57.07 59.36 1uir s TYR 312 Cb -0.52 -3.36 0.00 0.00 -1.04 0.00 0.00 41.96 37.04 1uir s TYR 312 CO 0.39 -1.83 0.00 1.17 -1.54 0.00 0.00 175.55 173.74