#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 6.26 0.86 3.17 -0.00 -1.26 -5.04 116.67 120.66 1uir s ASP 2 Ca 0.00 1.89 -0.12 0.00 -0.00 0.00 0.00 52.55 54.32 1uir s ASP 2 Cb 0.00 -2.55 0.10 0.00 -0.00 0.00 0.00 42.92 40.47 1uir s ASP 2 CO 0.00 -0.83 1.10 -0.31 -0.00 0.00 0.00 175.17 175.13 1uir s TYR 3 N -2.09 2.59 -4.66 4.23 2.02 -1.26 -4.94 117.35 113.24 1uir s TYR 3 Ca 0.66 1.13 0.00 0.00 -0.37 0.00 0.00 57.07 58.49 1uir s TYR 3 Cb -0.16 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 38.22 1uir s TYR 3 CO 0.23 -2.11 0.00 0.41 -1.57 0.00 0.00 175.55 172.51 1uir n GLY 4 N -1.76 0.95 3.77 0.71 0.00 -1.26 -5.07 105.19 102.52 1uir n GLY 4 Ca 0.07 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.86 4.38 0.06 1.61 -1.94 -1.26 -5.02 119.30 115.27 1uir s MET 5 Ca 0.00 0.88 -0.05 0.00 -1.71 0.00 0.00 55.69 54.81 1uir s MET 5 Cb 0.00 -3.32 -0.02 0.00 2.01 0.00 0.00 34.83 33.50 1uir s MET 5 CO 0.00 0.40 0.09 0.71 -0.01 0.00 0.00 175.02 176.21 1uir s TYR 6 N -0.39 0.29 -0.09 -0.03 1.51 -1.26 -0.62 117.35 116.76 1uir s TYR 6 Ca 0.33 -0.73 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1uir s TYR 6 Cb -0.20 -0.20 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1uir s TYR 6 CO 0.20 -0.43 -0.18 0.12 -1.11 0.00 0.00 175.55 174.15 1uir s PHE 7 N -3.50 2.67 -0.58 2.71 2.19 0.31 -4.88 117.98 116.89 1uir s PHE 7 Ca 0.03 -0.62 -0.20 0.00 0.33 0.00 0.00 56.93 56.46 1uir s PHE 7 Cb 0.04 -1.73 0.08 0.00 -1.31 0.00 0.00 43.02 40.10 1uir s PHE 7 CO -0.09 -0.16 0.77 -0.06 1.83 0.00 0.00 175.22 177.51 1uir s PHE 8 N 0.02 2.91 -0.21 10.12 0.40 -1.26 -1.33 117.98 128.63 1uir s PHE 8 Ca -0.06 -0.65 -0.14 0.00 -0.60 0.00 0.00 56.93 55.48 1uir s PHE 8 Cb -0.15 -3.96 -0.04 0.00 0.51 0.00 0.00 43.02 39.38 1uir s PHE 8 CO 0.05 -1.32 0.31 -2.00 0.70 0.00 0.00 175.22 172.96 1uir s GLU 9 N 3.13 4.15 0.34 0.44 2.12 0.21 -4.96 118.70 124.13 1uir s GLU 9 Ca 0.17 0.04 -0.28 0.00 0.36 0.00 0.00 54.97 55.26 1uir s GLU 9 Cb -0.20 -3.53 -0.10 0.00 0.26 0.00 0.00 34.13 30.57 1uir s GLU 9 CO 0.10 0.02 1.22 -1.58 -0.54 0.00 0.00 175.26 174.47 1uir s HIS 10 N 1.16 3.17 0.08 5.30 5.65 -0.97 -0.76 115.29 128.93 1uir s HIS 10 Ca 0.15 1.52 0.00 0.00 0.25 0.00 0.00 55.06 56.98 1uir s HIS 10 Cb -0.14 -3.50 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 1uir s HIS 10 CO 0.06 -1.40 0.00 0.28 -0.65 0.00 0.00 174.74 173.03 1uir n VAL 11 N 0.66 0.31 -4.24 0.89 0.31 -1.13 -4.75 118.33 110.38 1uir n VAL 11 Ca 0.01 0.10 -0.18 0.00 -0.01 0.00 0.00 64.34 64.26 1uir n VAL 11 Cb 0.44 -1.09 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 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 -1.13 2.52 -4.23 -0.81 -5.00 115.64 104.99 1uir s THR 12 Ca 0.00 -1.93 0.23 0.00 -1.18 0.00 0.00 61.69 58.82 1uir s THR 12 Cb 0.00 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.58 1uir s THR 12 CO 0.00 0.00 1.76 -0.81 -0.54 0.00 0.00 174.62 175.03 1uir n PRO 13 N -0.58 0.10 0.00 3.99 -0.04 -1.26 -3.51 135.00 133.70 1uir n PRO 13 Ca 0.06 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1uir n PRO 13 Cb 0.62 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.43 0.00 -4.26 0.54 4.02 -1.26 -4.99 117.16 109.78 1uir n TYR 14 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.76 1uir n TYR 14 Cb 0.25 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.41 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 -0.70 0.92 -0.04 -0.72 8.01 -1.23 -5.14 118.70 119.80 1uir s GLU 15 Ca 0.02 -0.18 0.03 0.00 0.01 0.00 0.00 54.97 54.85 1uir s GLU 15 Cb 0.02 -0.87 0.00 0.00 -4.31 0.00 0.00 34.13 28.96 1uir s GLU 15 CO 0.06 -0.02 -0.13 0.99 0.01 0.00 0.00 175.26 176.17 1uir s THR 16 N 0.67 1.11 -0.20 3.63 2.01 -1.26 -1.92 115.64 119.69 1uir s THR 16 Ca -0.10 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1uir s THR 16 Cb -0.13 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1uir s THR 16 CO 0.01 0.33 0.32 -0.76 -0.69 0.00 0.00 174.62 173.83 1uir s LEU 17 N 0.13 4.18 -0.40 4.42 1.43 0.06 -4.92 118.68 123.58 1uir s LEU 17 Ca -0.04 0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 53.41 1uir s LEU 17 Cb -0.10 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.78 1uir s LEU 17 CO 0.01 0.00 0.23 -0.69 0.23 0.00 0.00 176.35 176.13 1uir s VAL 18 N 1.00 4.23 -0.19 -1.59 1.01 -1.26 0.63 120.40 124.23 1uir s VAL 18 Ca 0.16 -1.26 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1uir s VAL 18 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1uir s VAL 18 CO 0.06 -0.41 0.09 -0.13 0.00 0.00 0.00 175.10 174.71 1uir s ARG 19 N 1.44 4.03 0.10 2.72 0.52 -0.44 -4.89 118.95 122.44 1uir s ARG 19 Ca 0.02 -0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 54.61 1uir s ARG 19 Cb -0.22 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 1uir s ARG 19 CO 0.03 0.25 1.36 0.50 0.02 0.00 0.00 175.30 177.46 1uir s ARG 20 N 0.47 4.34 -0.28 3.54 3.52 -1.26 -0.53 118.95 128.74 1uir s ARG 20 Ca 0.05 2.02 -0.08 0.00 -0.13 0.00 0.00 55.73 57.59 1uir s ARG 20 Cb -0.12 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1uir s ARG 20 CO 0.00 -0.41 0.11 -1.64 -0.81 0.00 0.00 175.30 172.54 1uir s MET 21 N 1.14 3.53 0.11 5.12 -1.94 0.21 -4.57 119.30 122.90 1uir s MET 21 Ca 0.64 -0.57 -0.11 0.00 -1.71 0.00 0.00 55.69 53.93 1uir s MET 21 Cb -0.36 -3.43 -0.14 0.00 2.01 0.00 0.00 34.83 32.91 1uir s MET 21 CO 0.30 -0.28 1.30 0.93 -0.01 0.00 0.00 175.02 177.26 1uir h GLU 22 N 8.28 0.73 -1.99 2.03 4.39 -0.60 -3.39 114.58 124.03 1uir h GLU 22 Ca -0.36 -0.62 -0.05 0.00 0.34 0.00 0.00 59.36 58.67 1uir h GLU 22 Cb 1.16 0.14 -0.20 0.00 -0.10 0.00 0.00 28.75 29.76 1uir h GLU 22 CO 0.59 1.23 0.18 0.50 -1.16 0.00 0.00 179.01 180.35 1uir s ARG 23 N -3.66 1.00 -0.36 2.33 3.52 -1.23 -4.99 118.95 115.55 1uir s ARG 23 Ca -0.10 0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 55.81 1uir s ARG 23 Cb 0.09 0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1uir s ARG 23 CO 0.90 -0.27 0.29 0.08 -0.81 0.00 0.00 175.30 175.49 1uir s VAL 24 N -0.80 5.24 -0.02 7.11 1.01 -1.26 -0.77 120.40 130.91 1uir s VAL 24 Ca -0.08 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 1uir s VAL 24 Cb -0.01 -3.80 -0.22 0.00 0.00 0.00 0.00 36.38 32.35 1uir s VAL 24 CO 0.08 -0.11 1.11 0.40 0.00 0.00 0.00 175.10 176.58 1uir h ILE 25 N 5.54 1.48 -2.07 2.22 2.04 -1.41 -3.47 117.51 121.84 1uir h ILE 25 Ca -0.30 -1.83 -0.05 0.00 1.00 0.00 0.00 64.86 63.68 1uir h ILE 25 Cb 1.14 2.55 -0.21 0.00 -0.74 0.00 0.00 36.82 39.56 1uir h ILE 25 CO 0.67 0.51 0.12 0.00 0.00 0.00 0.00 178.15 179.46 1uir s ALA 26 N -3.40 -1.71 -0.12 1.87 0.00 -0.85 -5.01 121.76 112.53 1uir s ALA 26 Ca -0.15 1.73 -0.12 0.00 0.00 0.00 0.00 51.96 53.42 1uir s ALA 26 Cb 0.02 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1uir s ALA 26 CO 0.76 -0.34 0.34 -1.54 0.00 0.00 0.00 175.76 174.97 1uir s SER 27 N -0.15 -0.35 0.00 0.00 1.04 -1.26 0.46 113.70 113.45 1uir s SER 27 Ca -0.04 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1uir s SER 27 Cb -0.03 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1uir s SER 27 CO 0.04 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1uir n GLY 28 N 2.88 1.15 3.12 7.32 0.00 -0.48 -5.01 105.19 114.17 1uir n GLY 28 Ca -0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 1.01 0.26 0.40 1.61 2.47 -1.26 -1.45 119.74 122.78 1uir s LYS 29 Ca 0.00 0.59 0.06 0.00 -1.56 0.00 0.00 55.97 55.06 1uir s LYS 29 Cb 0.00 -0.08 0.06 0.00 -1.46 0.00 0.00 37.83 36.35 1uir s LYS 29 CO 0.00 -0.16 0.50 0.25 0.16 0.00 0.00 175.35 176.11 1uir n THR 30 N 4.17 0.00 1.35 3.43 -2.24 -0.08 -4.98 114.28 115.93 1uir n THR 30 Ca -0.24 -1.40 0.13 0.00 -2.27 0.00 0.00 64.05 60.26 1uir n THR 30 Cb 0.54 -0.55 0.69 0.00 -2.10 0.00 0.00 70.33 68.91 1uir n THR 30 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1uir n PRO 31 N -1.78 0.51 -0.02 -0.78 -0.04 -1.26 -3.68 135.00 127.94 1uir n PRO 31 Ca 0.09 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1uir n PRO 31 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.20 0.00 -3.66 0.54 3.72 -1.26 -5.11 117.46 110.50 1uir n PHE 32 Ca 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1uir n PHE 32 Cb 0.17 -0.26 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 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 -2.25 0.77 0.23 -1.08 -2.07 -1.24 -5.10 119.66 108.93 1uir s GLN 33 Ca -0.03 -0.40 -0.06 0.00 -1.82 0.00 0.00 55.36 53.04 1uir s GLN 33 Cb 0.03 0.28 -0.06 0.00 -1.09 0.00 0.00 33.01 32.17 1uir s GLN 33 CO 0.26 -0.35 0.50 -0.51 -1.32 0.00 0.00 175.29 173.87 1uir s ASP 34 N -2.83 6.51 0.02 12.60 1.01 -1.26 -0.90 116.67 131.82 1uir s ASP 34 Ca 0.12 0.74 0.01 0.00 0.71 0.00 0.00 52.55 54.13 1uir s ASP 34 Cb 0.01 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 1uir s ASP 34 CO -0.02 -0.09 -0.05 -0.72 0.21 0.00 0.00 175.17 174.50 1uir s TYR 35 N -1.88 0.44 -0.04 4.23 -0.85 -0.53 -0.61 117.35 118.11 1uir s TYR 35 Ca 0.44 -0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 56.65 1uir s TYR 35 Cb -0.11 -0.28 0.03 0.00 0.38 0.00 0.00 41.96 41.98 1uir s TYR 35 CO 0.26 -0.07 0.02 -0.06 -1.52 0.00 0.00 175.55 174.17 1uir s PHE 36 N -0.89 0.30 -0.19 -3.49 0.08 -0.28 -1.38 117.98 112.15 1uir s PHE 36 Ca -0.07 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1uir s PHE 36 Cb -0.07 -0.53 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1uir s PHE 36 CO -0.00 -0.20 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.58 1uir s LEU 37 N 1.69 2.24 0.11 -0.37 2.96 0.17 0.08 118.68 125.55 1uir s LEU 37 Ca -0.01 -0.74 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 1uir s LEU 37 Cb -0.13 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1uir s LEU 37 CO -0.03 -0.05 -0.07 0.72 -1.32 0.00 0.00 176.35 175.60 1uir s PHE 38 N 1.31 0.95 -0.07 5.38 -0.71 -0.37 -0.98 117.98 123.50 1uir s PHE 38 Ca 0.03 -0.91 -0.22 0.00 -1.04 0.00 0.00 56.93 54.79 1uir s PHE 38 Cb -0.14 -0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 1uir s PHE 38 CO -0.11 -0.13 0.63 -1.21 -1.34 0.00 0.00 175.22 173.06 1uir s GLU 39 N -3.83 4.40 0.04 1.99 0.41 0.05 -0.08 118.70 121.68 1uir s GLU 39 Ca 0.13 0.75 0.06 0.00 -0.41 0.00 0.00 54.97 55.50 1uir s GLU 39 Cb 0.05 -3.43 -0.02 0.00 -1.78 0.00 0.00 34.13 28.95 1uir s GLU 39 CO -0.04 0.14 -0.17 -1.54 -0.49 0.00 0.00 175.26 173.17 1uir s SER 40 N 0.57 2.01 0.40 -0.19 1.04 -0.19 0.13 113.70 117.47 1uir s SER 40 Ca 0.34 -0.49 0.19 0.00 0.48 0.00 0.00 55.95 56.47 1uir s SER 40 Cb -0.17 -0.15 0.83 0.00 0.10 0.00 0.00 66.02 66.63 1uir s SER 40 CO 0.16 0.09 1.81 0.11 0.98 0.00 0.00 173.24 176.39 1uir h LYS 41 N 4.90 0.00 0.00 4.02 1.57 -1.84 -1.60 116.57 123.62 1uir h LYS 41 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1uir h LYS 41 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1uir h LYS 41 CO 0.44 0.33 -0.30 0.78 -0.57 0.00 0.00 179.45 180.13 1uir h GLY 42 N 1.65 0.00 -0.76 3.86 0.00 -1.96 -3.40 103.07 102.46 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 0.04 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.27 1uir n PHE 43 N -4.43 0.06 -4.22 5.60 3.72 -1.26 -4.92 117.46 112.01 1uir n PHE 43 Ca -0.04 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1uir n PHE 43 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.20 0.68 3.76 1.37 0.00 -0.60 -1.35 105.19 110.24 1uir n GLY 44 Ca 0.18 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 4.31 -0.07 1.61 1.02 -1.26 -1.03 119.74 124.33 1uir s LYS 45 Ca 0.00 2.26 0.02 0.00 0.02 0.00 0.00 55.97 58.27 1uir s LYS 45 Cb 0.00 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 1uir s LYS 45 CO 0.00 -0.28 -0.10 0.08 -0.92 0.00 0.00 175.35 174.13 1uir s VAL 46 N -0.78 0.99 -0.24 3.17 1.01 0.89 -0.19 120.40 125.25 1uir s VAL 46 Ca 0.52 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1uir s VAL 46 Cb -0.41 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1uir s VAL 46 CO 0.51 0.33 0.09 -0.22 0.00 0.00 0.00 175.10 175.81 1uir s LEU 47 N 0.84 3.66 -0.13 3.92 0.20 -0.30 -1.23 118.68 125.63 1uir s LEU 47 Ca -0.12 -0.09 -0.03 0.00 0.69 0.00 0.00 54.13 54.59 1uir s LEU 47 Cb -0.15 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 1uir s LEU 47 CO 0.02 0.02 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.41 1uir s ILE 48 N 1.33 3.81 -0.26 6.68 -1.09 0.11 0.05 121.20 131.83 1uir s ILE 48 Ca 0.06 -0.40 -0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1uir s ILE 48 Cb -0.15 -2.64 0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1uir s ILE 48 CO 0.05 0.52 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.44 1uir s LEU 49 N 0.10 3.32 0.00 2.97 1.43 -0.45 -1.12 118.68 124.92 1uir s LEU 49 Ca -0.01 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1uir s LEU 49 Cb -0.14 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1uir s LEU 49 CO 0.03 -0.16 0.00 0.47 0.23 0.00 0.00 176.35 176.92 1uir n ASP 50 N 4.59 0.00 0.00 2.29 8.00 0.22 -2.35 116.55 129.31 1uir n ASP 50 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1uir n ASP 50 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1uir n ASP 50 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1uir n LYS 51 N 0.00 0.37 -4.91 -1.24 2.85 -1.26 -4.91 118.16 109.05 1uir n LYS 51 Ca 0.00 -0.79 -0.28 0.00 -1.05 0.00 0.00 58.31 56.18 1uir n LYS 51 Cb 0.00 -0.96 -0.15 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.32 2.80 0.18 -5.58 1.01 -0.99 -2.28 116.67 111.48 1uir s ASP 52 Ca 0.00 -0.51 -0.31 0.00 0.71 0.00 0.00 52.55 52.44 1uir s ASP 52 Cb 0.00 -0.27 -0.10 0.00 1.01 0.00 0.00 42.92 43.56 1uir s ASP 52 CO 0.00 0.24 1.58 -0.69 0.21 0.00 0.00 175.17 176.51 1uir s VAL 53 N -0.71 2.54 -0.19 -1.27 1.01 -1.26 -1.34 120.40 119.18 1uir s VAL 53 Ca 0.09 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1uir s VAL 53 Cb -0.09 -3.25 -0.21 0.00 0.00 0.00 0.00 36.38 32.82 1uir s VAL 53 CO 0.01 0.03 0.07 1.67 0.00 0.00 0.00 175.10 176.88 1uir n GLN 54 N 3.81 0.68 -3.59 2.72 -0.06 0.11 -4.86 117.38 116.20 1uir n GLN 54 Ca 0.13 0.16 -0.06 0.00 -2.00 0.00 0.00 57.00 55.24 1uir n GLN 54 Cb 0.38 -1.60 -0.03 0.00 -4.06 0.00 0.00 30.24 24.94 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 -6.40 -0.19 0.02 1.69 0.15 -1.14 -5.01 113.70 102.82 1uir s SER 55 Ca -0.24 0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.55 1uir s SER 55 Cb 0.08 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1uir s SER 55 CO 0.71 -0.26 -0.14 0.42 1.20 0.00 0.00 173.24 175.17 1uir s THR 56 N -1.95 1.13 0.15 6.45 -4.23 -1.26 -1.15 115.64 114.78 1uir s THR 56 Ca 0.06 -0.83 -0.18 0.00 -1.18 0.00 0.00 61.69 59.57 1uir s THR 56 Cb -0.01 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.88 1uir s THR 56 CO -0.04 0.15 1.69 -0.08 -0.54 0.00 0.00 174.62 175.80 1uir h GLU 57 N 5.31 0.04 -0.00 3.99 4.81 -0.54 -0.91 114.58 127.28 1uir h GLU 57 Ca -0.36 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1uir h GLU 57 Cb 1.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1uir h GLU 57 CO 0.46 0.03 -0.10 0.54 -0.73 0.00 0.00 179.01 179.21 1uir n ARG 58 N -5.22 0.32 0.00 1.92 1.74 -0.46 -3.84 116.66 111.12 1uir n ARG 58 Ca 0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1uir n ARG 58 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 -1.28 0.57 0.23 0.55 3.85 -1.16 -4.75 116.55 114.56 1uir n ASP 59 Ca 0.11 -0.80 0.14 0.00 -0.71 0.00 0.00 54.79 53.53 1uir n ASP 59 Cb 0.29 0.33 0.78 0.00 -1.35 0.00 0.00 41.12 41.18 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 -0.48 0.11 -0.00 -1.27 -1.41 114.58 111.53 1uir h GLU 60 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1uir h GLU 60 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.76 1uir h GLU 60 CO 0.00 0.00 0.26 0.10 -0.00 0.00 0.00 179.01 179.37 1uir h TYR 61 N 0.00 0.65 0.07 2.06 -0.00 -1.85 0.94 116.97 118.83 1uir h TYR 61 Ca 0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.77 1uir h TYR 61 Cb 0.22 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 36.74 1uir h TYR 61 CO 0.00 0.46 -0.03 0.82 -0.00 0.00 0.00 178.16 179.41 1uir h ILE 62 N 0.67 1.07 -0.31 -0.90 2.04 -1.62 0.44 117.51 118.91 1uir h ILE 62 Ca 0.17 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1uir h ILE 62 Cb 0.03 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1uir h ILE 62 CO -0.03 0.12 0.15 0.22 0.00 0.00 0.00 178.15 178.61 1uir h TYR 63 N -0.29 0.44 -0.15 1.37 5.03 -1.43 -1.43 116.97 120.51 1uir h TYR 63 Ca -0.01 -0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.13 1uir h TYR 63 Cb 0.26 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 1uir h TYR 63 CO -0.01 0.39 -0.56 0.45 -1.32 0.00 0.00 178.16 177.12 1uir h HIS 64 N 0.36 0.57 -0.49 -3.82 3.86 -0.80 0.11 115.15 114.95 1uir h HIS 64 Ca 0.11 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 1uir h HIS 64 Cb 0.12 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1uir h HIS 64 CO -0.02 0.91 -0.06 0.93 0.86 0.00 0.00 177.93 180.54 1uir h GLU 65 N 0.35 0.90 -0.71 2.45 5.08 -0.86 -1.58 114.58 120.21 1uir h GLU 65 Ca 0.00 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1uir h GLU 65 Cb 1.08 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1uir h GLU 65 CO 0.10 0.97 0.24 1.15 -1.00 0.00 0.00 179.01 180.47 1uir h THR 66 N 0.76 1.26 -0.32 1.13 2.02 -1.11 -2.27 112.91 114.36 1uir h THR 66 Ca 0.13 -0.86 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 1uir h THR 66 Cb 0.60 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1uir h THR 66 CO 0.04 0.34 -0.37 0.25 0.37 0.00 0.00 175.52 176.14 1uir h LEU 67 N 1.04 0.89 0.00 2.58 5.85 -0.87 -3.40 115.31 121.40 1uir h LEU 67 Ca 0.23 -0.48 -0.23 0.00 0.84 0.00 0.00 57.88 58.24 1uir h LEU 67 Cb 0.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1uir h LEU 67 CO -0.01 1.19 -1.34 0.52 -0.34 0.00 0.00 178.44 178.46 1uir n VAL 68 N -4.14 1.52 0.15 1.05 0.31 -0.61 -4.60 118.33 112.01 1uir n VAL 68 Ca -0.03 -0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.28 1uir n VAL 68 Cb 0.53 -2.08 0.40 0.00 -0.91 0.00 0.00 33.84 31.78 1uir n VAL 68 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1uir h HIS 69 N -1.00 0.17 -0.52 3.52 3.86 -1.62 -2.33 115.15 117.22 1uir h HIS 69 Ca -0.35 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 1uir h HIS 69 Cb 1.23 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 1uir h HIS 69 CO 0.01 0.35 0.33 -1.35 0.86 0.00 0.00 177.93 178.13 1uir h PRO 70 N 0.15 0.70 -0.39 2.45 0.11 -1.77 0.41 132.00 133.66 1uir h PRO 70 Ca 0.03 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 1uir h PRO 70 Cb 0.43 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1uir h PRO 70 CO 0.03 0.49 -0.14 0.00 -0.21 0.00 0.00 178.00 178.17 1uir h ALA 71 N 1.17 0.54 -0.44 -0.75 0.00 -1.82 -1.48 119.26 116.49 1uir h ALA 71 Ca 0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1uir h ALA 71 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1uir h ALA 71 CO -0.04 0.44 0.03 0.52 0.00 0.00 0.00 179.25 180.20 1uir h MET 72 N 0.58 0.76 0.00 0.00 2.86 -1.15 -2.90 114.93 115.08 1uir h MET 72 Ca 0.09 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 1uir h MET 72 Cb 0.67 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1uir h MET 72 CO 0.05 0.81 -0.61 -0.07 1.06 0.00 0.00 176.91 178.15 1uir h LEU 73 N 0.61 0.00 -0.18 1.22 3.38 -0.18 -2.94 115.31 117.21 1uir h LEU 73 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1uir h LEU 73 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uir h LEU 73 CO 0.02 0.61 0.00 1.07 0.09 0.00 0.00 178.44 180.23 1uir n THR 74 N -3.71 0.60 -3.24 0.22 5.66 -0.56 -4.62 114.28 108.62 1uir n THR 74 Ca -0.01 -0.09 -0.39 0.00 -3.05 0.00 0.00 64.05 60.51 1uir n THR 74 Cb 0.63 -0.75 -0.07 0.00 -1.55 0.00 0.00 70.33 68.59 1uir n THR 74 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1uir s HIS 75 N -3.14 3.34 0.48 1.09 5.65 -1.10 -4.97 115.29 116.64 1uir s HIS 75 Ca 0.09 0.73 0.22 0.00 0.25 0.00 0.00 55.06 56.35 1uir s HIS 75 Cb 0.12 -2.68 1.25 0.00 -1.18 0.00 0.00 32.58 30.09 1uir s HIS 75 CO 0.52 -0.15 1.94 -1.00 -0.65 0.00 0.00 174.74 175.40 1uir h PRO 76 N 7.62 0.19 -0.78 2.88 0.13 -1.84 -3.37 132.00 136.82 1uir h PRO 76 Ca -0.32 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.65 1uir h PRO 76 Cb 1.15 -0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.08 1uir h PRO 76 CO 0.73 0.12 -0.45 -1.91 -0.23 0.00 0.00 178.00 176.26 1uir n GLU 77 N -4.41 0.53 -2.45 0.86 2.13 -1.26 -5.13 120.64 110.91 1uir n GLU 77 Ca 0.13 -1.88 -0.43 0.00 0.66 0.00 0.00 57.16 55.65 1uir n GLU 77 Cb 0.62 -1.33 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 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 0.84 4.30 -0.11 5.31 0.04 -1.26 -4.88 135.00 139.24 1uir s PRO 78 Ca 0.30 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.06 1uir s PRO 78 Cb 0.05 -3.65 -0.11 0.00 0.04 0.00 0.00 34.50 30.83 1uir s PRO 78 CO -0.08 -0.56 -0.02 1.63 0.04 0.00 0.00 177.00 178.01 1uir n LYS 79 N 5.81 1.62 -4.27 4.56 5.02 -1.25 -2.87 118.16 126.78 1uir n LYS 79 Ca 0.12 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 1uir n LYS 79 Cb 0.46 -1.26 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.25 2.46 0.03 1.97 0.52 -1.26 -0.06 118.95 120.35 1uir s ARG 80 Ca -0.10 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 54.55 1uir s ARG 80 Cb 0.04 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.35 1uir s ARG 80 CO 0.38 -0.15 -0.21 0.08 0.02 0.00 0.00 175.30 175.43 1uir s VAL 81 N 1.21 1.64 -0.14 3.52 1.01 -0.21 -0.59 120.40 126.84 1uir s VAL 81 Ca -0.00 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1uir s VAL 81 Cb -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1uir s VAL 81 CO -0.07 0.26 -0.19 -0.22 0.00 0.00 0.00 175.10 174.89 1uir s LEU 82 N -1.01 2.29 -0.18 3.92 2.96 -0.45 -0.87 118.68 125.35 1uir s LEU 82 Ca 0.07 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1uir s LEU 82 Cb -0.09 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1uir s LEU 82 CO 0.01 0.10 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.45 1uir s ILE 83 N 0.73 3.43 -0.33 6.68 1.01 0.11 -0.44 121.20 132.38 1uir s ILE 83 Ca -0.08 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1uir s ILE 83 Cb -0.16 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1uir s ILE 83 CO 0.01 0.46 0.11 -0.69 0.00 0.00 0.00 174.94 174.83 1uir s VAL 84 N 0.96 3.91 0.00 2.92 1.01 -0.10 -0.69 120.40 128.41 1uir s VAL 84 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1uir s VAL 84 Cb -0.15 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1uir s VAL 84 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1uir n GLY 85 N 4.84 0.64 3.60 4.51 0.00 -0.68 -0.46 105.19 117.64 1uir n GLY 85 Ca -0.13 -1.64 -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 -0.37 0.33 -0.02 0.00 -0.99 -4.67 105.19 99.47 1uir n GLY 86 Ca 0.00 0.14 0.22 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.01 0.00 2.00 -0.02 0.00 -1.95 -2.82 103.07 98.27 1uir h GLY 87 Ca -0.59 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1uir h GLY 87 CO 0.55 0.00 -0.20 0.83 0.00 0.00 0.00 176.54 177.72 1uir h GLU 88 N 0.00 0.00 0.00 4.80 3.07 -1.94 -3.42 114.58 117.09 1uir h GLU 88 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1uir h GLU 88 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1uir h GLU 88 CO 0.00 0.20 0.00 0.41 -1.40 0.00 0.00 179.01 178.22 1uir n GLY 89 N -0.12 0.33 0.09 -3.84 0.00 -1.06 -3.43 105.19 97.16 1uir n GLY 89 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 0.55 -0.56 4.61 0.00 -1.81 -2.16 119.26 119.89 1uir h ALA 90 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.07 1uir h ALA 90 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1uir h ALA 90 CO 0.00 1.09 0.16 1.15 0.00 0.00 0.00 179.25 181.65 1uir h THR 91 N 0.00 1.24 -0.49 0.00 2.02 -1.91 -1.25 112.91 112.52 1uir h THR 91 Ca -0.01 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 1uir h THR 91 Cb 1.55 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1uir h THR 91 CO 0.11 0.31 0.12 0.25 0.37 0.00 0.00 175.52 176.68 1uir h LEU 92 N 0.79 0.75 -0.41 2.58 5.85 -1.85 -1.79 115.31 121.23 1uir h LEU 92 Ca 0.18 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1uir h LEU 92 Cb 0.31 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1uir h LEU 92 CO -0.00 0.79 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.77 1uir h ARG 93 N 0.67 0.08 -0.42 1.25 2.43 -0.91 0.39 114.38 117.87 1uir h ARG 93 Ca 0.15 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 1uir h ARG 93 Cb 0.33 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1uir h ARG 93 CO 0.00 0.05 -0.29 0.93 -1.51 0.00 0.00 179.97 179.15 1uir h GLU 94 N 0.08 0.92 -0.50 0.20 4.39 -1.08 -3.08 114.58 115.51 1uir h GLU 94 Ca 0.20 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1uir h GLU 94 Cb 0.29 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1uir h GLU 94 CO -0.35 1.09 0.32 0.28 -1.16 0.00 0.00 179.01 179.18 1uir h VAL 95 N 0.78 1.14 0.00 3.13 2.07 -0.83 -2.54 116.25 119.99 1uir h VAL 95 Ca 0.09 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1uir h VAL 95 Cb 0.87 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1uir h VAL 95 CO 0.08 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.99 1uir n LEU 96 N -4.71 0.28 0.26 2.57 4.77 0.08 -2.48 117.00 117.77 1uir n LEU 96 Ca 0.02 0.60 0.16 0.00 -0.03 0.00 0.00 56.01 56.76 1uir n LEU 96 Cb 0.04 -0.61 0.54 0.00 -2.33 0.00 0.00 43.42 41.06 1uir n LEU 96 CO 0.35 -0.59 0.94 0.11 -1.33 0.00 0.00 177.39 176.88 1uir h LYS 97 N 0.00 0.00 -6.35 3.23 1.57 -1.43 -3.42 116.57 110.17 1uir h LYS 97 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1uir h LYS 97 Cb 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1uir h LYS 97 CO 0.00 0.00 0.86 -1.01 -0.57 0.00 0.00 179.45 178.73 1uir s HIS 98 N -3.54 3.09 0.63 -1.35 3.76 -1.03 -4.76 115.29 112.08 1uir s HIS 98 Ca 0.03 1.13 0.34 0.00 -0.15 0.00 0.00 55.06 56.40 1uir s HIS 98 Cb 0.08 -3.78 1.90 0.00 1.11 0.00 0.00 32.58 31.89 1uir s HIS 98 CO 0.58 -0.87 2.17 -1.00 -0.85 0.00 0.00 174.74 174.76 1uir h PRO 99 N 8.27 0.00 0.00 8.40 0.13 -1.81 -1.57 132.00 145.41 1uir h PRO 99 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1uir h PRO 99 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1uir h PRO 99 CO 1.04 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.06 1uir n THR 100 N -3.44 0.17 -2.27 1.56 -2.24 -1.26 -4.77 114.28 102.03 1uir n THR 100 Ca -0.01 0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1uir n THR 100 Cb 0.23 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 1uir n THR 100 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1uir s VAL 101 N -2.91 3.97 -0.14 2.28 1.01 -0.59 -3.88 120.40 120.14 1uir s VAL 101 Ca 0.16 1.22 0.13 0.00 0.00 0.00 0.00 61.98 63.49 1uir s VAL 101 Cb 0.17 -3.79 -0.18 0.00 0.00 0.00 0.00 36.38 32.59 1uir s VAL 101 CO 0.47 -0.08 0.05 -0.62 0.00 0.00 0.00 175.10 174.91 1uir n GLU 102 N 6.48 1.60 -3.73 2.72 1.02 0.91 -4.99 120.64 124.64 1uir n GLU 102 Ca 0.15 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 1uir n GLU 102 Cb 0.44 -1.38 -0.12 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.36 0.32 -0.20 3.49 2.20 -0.88 -4.65 119.74 117.66 1uir s LYS 103 Ca -0.07 0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1uir s LYS 103 Cb 0.04 0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.44 1uir s LYS 103 CO 0.60 -0.11 0.02 0.00 -0.36 0.00 0.00 175.35 175.50 1uir s ALA 104 N 0.87 1.16 -0.21 3.13 0.00 0.50 -1.04 121.76 126.16 1uir s ALA 104 Ca -0.06 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1uir s ALA 104 Cb -0.07 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1uir s ALA 104 CO -0.06 -1.18 0.18 0.08 0.00 0.00 0.00 175.76 174.78 1uir s VAL 105 N 1.78 5.36 -0.19 0.00 1.01 -0.05 -1.06 120.40 127.26 1uir s VAL 105 Ca -0.02 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1uir s VAL 105 Cb -0.17 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1uir s VAL 105 CO -0.08 0.39 -0.10 -0.32 0.00 0.00 0.00 175.10 174.99 1uir s MET 106 N 0.65 3.29 -0.23 2.72 1.75 0.11 0.04 119.30 127.64 1uir s MET 106 Ca 0.10 -0.69 -0.03 0.00 -1.25 0.00 0.00 55.69 53.82 1uir s MET 106 Cb -0.12 -2.80 0.01 0.00 2.84 0.00 0.00 34.83 34.75 1uir s MET 106 CO 0.02 -0.09 -0.07 0.08 -0.65 0.00 0.00 175.02 174.31 1uir s VAL 107 N 1.13 3.07 -0.00 10.11 1.01 0.13 -0.28 120.40 135.57 1uir s VAL 107 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1uir s VAL 107 Cb -0.14 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 1uir s VAL 107 CO -0.03 0.37 -0.02 -0.62 0.00 0.00 0.00 175.10 174.79 1uir s ASP 108 N 1.41 0.25 0.22 3.32 -1.08 -0.34 -1.68 116.67 118.78 1uir s ASP 108 Ca 0.04 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 1uir s ASP 108 Cb -0.15 -0.03 0.20 0.00 -1.46 0.00 0.00 42.92 41.48 1uir s ASP 108 CO -0.05 0.02 1.55 -0.29 0.52 0.00 0.00 175.17 176.92 1uir h ILE 109 N 5.09 1.34 -3.74 4.11 6.09 -1.81 -0.56 117.51 128.04 1uir h ILE 109 Ca -0.26 -1.80 -0.78 0.00 -1.37 0.00 0.00 64.86 60.65 1uir h ILE 109 Cb 1.20 1.81 -0.26 0.00 0.47 0.00 0.00 36.82 40.05 1uir h ILE 109 CO 0.51 0.55 0.05 -0.62 -3.07 0.00 0.00 178.15 175.57 1uir s ASP 110 N -6.90 6.67 0.29 2.19 3.68 -1.26 -4.57 116.67 116.77 1uir s ASP 110 Ca -0.06 -2.59 0.01 0.00 2.13 0.00 0.00 52.55 52.04 1uir s ASP 110 Cb 0.12 -2.20 0.45 0.00 -1.45 0.00 0.00 42.92 39.83 1uir s ASP 110 CO 0.82 -0.60 1.81 1.23 0.13 0.00 0.00 175.17 178.56 1uir h GLY 111 N 7.89 0.73 1.17 2.66 0.00 -1.96 -2.27 103.07 111.30 1uir h GLY 111 Ca 0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1uir h GLY 111 CO 0.78 0.43 0.23 -2.09 0.00 0.00 0.00 176.54 175.90 1uir h GLU 112 N 0.64 1.04 -0.42 4.80 4.81 -1.99 -1.57 114.58 121.89 1uir h GLU 112 Ca 0.13 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1uir h GLU 112 Cb 0.39 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1uir h GLU 112 CO 0.01 0.88 0.07 1.25 -0.73 0.00 0.00 179.01 180.50 1uir h LEU 113 N 1.01 0.66 -1.12 1.64 5.85 -1.87 -1.82 115.31 119.66 1uir h LEU 113 Ca 0.23 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1uir h LEU 113 Cb 0.26 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1uir h LEU 113 CO -0.01 0.75 0.60 0.58 -0.34 0.00 0.00 178.44 180.02 1uir h VAL 114 N 0.55 1.05 -0.54 1.05 2.07 -1.11 -0.42 116.25 118.91 1uir h VAL 114 Ca 0.13 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1uir h VAL 114 Cb 0.37 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1uir h VAL 114 CO 0.01 0.19 0.07 -0.33 0.02 0.00 0.00 177.57 177.52 1uir h GLU 115 N 1.04 0.86 -0.76 1.57 4.39 -0.82 -0.22 114.58 120.64 1uir h GLU 115 Ca 0.40 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1uir h GLU 115 Cb 0.23 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1uir h GLU 115 CO -0.16 0.82 0.44 0.28 -1.16 0.00 0.00 179.01 179.23 1uir h VAL 116 N 0.81 1.22 -0.25 3.13 2.07 -0.28 -1.37 116.25 121.59 1uir h VAL 116 Ca 0.17 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1uir h VAL 116 Cb 0.39 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1uir h VAL 116 CO 0.01 0.23 0.01 0.00 0.02 0.00 0.00 177.57 177.84 1uir h ALA 117 N 1.23 0.33 -0.64 1.67 0.00 -0.72 0.12 119.26 121.26 1uir h ALA 117 Ca 0.27 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1uir h ALA 117 Cb -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1uir h ALA 117 CO -0.05 0.06 0.35 0.87 0.00 0.00 0.00 179.25 180.48 1uir h LYS 118 N 0.21 0.65 0.07 0.00 1.57 -0.84 0.48 116.57 118.70 1uir h LYS 118 Ca 0.07 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.54 1uir h LYS 118 Cb 0.40 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1uir h LYS 118 CO 0.01 0.43 -1.37 -0.09 -0.57 0.00 0.00 179.45 177.86 1uir h ARG 119 N 0.67 0.14 -0.00 3.15 2.43 -1.17 -3.40 114.38 116.19 1uir h ARG 119 Ca 0.28 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1uir h ARG 119 Cb 0.16 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1uir h ARG 119 CO -0.17 1.00 -0.06 0.72 -1.51 0.00 0.00 179.97 179.95 1uir n HIS 120 N -3.37 0.00 -2.61 2.20 8.25 0.42 -4.76 115.22 115.36 1uir n HIS 120 Ca -0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.14 1uir n HIS 120 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 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 -0.14 2.61 0.30 -0.41 2.81 0.17 -4.85 117.12 117.60 1uir n MET 121 Ca 0.02 -4.11 0.17 0.00 -1.81 0.00 0.00 57.70 51.97 1uir n MET 121 Cb 0.10 -1.92 0.93 0.00 -0.71 0.00 0.00 33.22 31.62 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 2.76 0.00 0.00 0.03 0.13 -1.79 -1.50 132.00 131.63 1uir h PRO 122 Ca 0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1uir h PRO 122 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1uir h PRO 122 CO 0.73 0.04 -0.19 0.93 -0.23 0.00 0.00 178.00 179.28 1uir h GLU 123 N 0.00 0.00 0.00 0.86 3.07 -1.92 -0.93 114.58 115.66 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 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1uir h GLU 123 CO 0.01 0.19 -0.07 -1.49 -1.40 0.00 0.00 179.01 176.24 1uir h TRP 124 N 0.00 0.00 -0.07 4.33 6.55 -1.58 -3.40 115.95 121.79 1uir h TRP 124 Ca -0.00 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.74 1uir h TRP 124 Cb 0.36 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 1uir h TRP 124 CO 0.00 0.00 -0.43 1.12 -1.05 0.00 0.00 178.44 178.08 1uir h HIS 125 N -0.70 0.17 -6.90 0.49 2.07 -1.56 -3.33 115.15 105.39 1uir h HIS 125 Ca 0.00 -0.05 -0.58 0.00 -2.85 0.00 0.00 60.37 56.90 1uir h HIS 125 Cb 0.07 -0.04 -0.25 0.00 2.57 0.00 0.00 27.41 29.76 1uir h HIS 125 CO -0.03 0.55 -0.88 1.04 -3.07 0.00 0.00 177.93 175.55 1uir n GLN 126 N -4.02 -2.18 -0.99 5.12 6.02 -0.36 0.05 117.38 121.04 1uir n GLN 126 Ca -0.02 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1uir n GLN 126 Cb 0.48 -4.77 0.00 0.00 1.02 0.00 0.00 30.24 26.97 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 -1.47 0.61 0.29 1.08 0.00 -1.26 -4.93 105.19 99.50 1uir n GLY 127 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 1.76 0.00 4.61 0.00 -0.69 -1.97 119.26 122.97 1uir h ALA 128 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1uir h ALA 128 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1uir h ALA 128 CO 0.00 0.21 -0.21 0.74 0.00 0.00 0.00 179.25 179.99 1uir h PHE 129 N 0.40 0.00 -0.29 0.00 -1.00 -1.89 -2.29 116.94 111.87 1uir h PHE 129 Ca 0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1uir h PHE 129 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1uir h PHE 129 CO 0.00 0.21 0.00 -0.25 -1.61 0.00 0.00 178.31 176.66 1uir n ASP 130 N -4.02 2.01 -4.72 2.17 8.00 -0.74 -4.82 116.55 114.43 1uir n ASP 130 Ca -0.02 -2.11 -0.42 0.00 0.71 0.00 0.00 54.79 52.95 1uir n ASP 130 Cb 0.28 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 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 -0.81 7.37 0.60 -2.24 -1.08 -0.86 -4.92 116.67 114.74 1uir s ASP 131 Ca 0.21 1.76 0.29 0.00 -0.52 0.00 0.00 52.55 54.29 1uir s ASP 131 Cb 0.13 -2.58 1.60 0.00 -1.46 0.00 0.00 42.92 40.61 1uir s ASP 131 CO 0.12 -0.22 2.00 1.55 0.52 0.00 0.00 175.17 179.13 1uir h PRO 132 N 6.36 0.00 -0.00 4.34 0.13 -1.90 0.55 132.00 141.48 1uir h PRO 132 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.75 0.00 -0.15 0.54 -0.23 0.00 0.00 178.00 178.90 1uir n ARG 133 N -3.61 0.23 -3.52 0.86 1.74 -1.26 -4.87 116.66 106.23 1uir n ARG 133 Ca 0.04 -0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.67 1uir n ARG 133 Cb 0.46 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.81 3.69 -0.18 7.54 0.00 0.18 -0.37 121.76 129.81 1uir s ALA 134 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1uir s ALA 134 Cb 0.19 -2.37 0.05 0.00 0.00 0.00 0.00 23.12 21.00 1uir s ALA 134 CO 0.55 0.44 0.02 0.08 0.00 0.00 0.00 175.76 176.85 1uir s VAL 135 N -0.87 0.55 -0.09 0.00 1.01 -0.22 -4.87 120.40 115.91 1uir s VAL 135 Ca 0.23 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 1uir s VAL 135 Cb -0.16 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1uir s VAL 135 CO 0.12 -0.12 0.51 -0.22 0.00 0.00 0.00 175.10 175.39 1uir s LEU 136 N 1.86 4.32 -0.14 3.92 2.96 -1.26 -0.71 118.68 129.63 1uir s LEU 136 Ca -0.00 0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 54.82 1uir s LEU 136 Cb -0.16 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.80 1uir s LEU 136 CO -0.08 0.03 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.24 1uir s VAL 137 N 0.39 1.00 -0.51 1.68 1.01 0.61 -4.96 120.40 119.63 1uir s VAL 137 Ca 0.28 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1uir s VAL 137 Cb -0.16 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.17 1uir s VAL 137 CO 0.12 0.24 0.63 -0.63 0.00 0.00 0.00 175.10 175.47 1uir s ILE 138 N 1.70 4.86 0.08 2.22 -1.09 -1.26 -1.20 121.20 126.52 1uir s ILE 138 Ca 0.03 -0.48 -0.27 0.00 -2.23 0.00 0.00 60.65 57.70 1uir s ILE 138 Cb -0.14 -4.31 0.09 0.00 -1.58 0.00 0.00 42.46 36.53 1uir s ILE 138 CO -0.08 -0.82 1.14 -0.62 -1.23 0.00 0.00 174.94 173.33 1uir s ASP 139 N 2.71 -0.06 -0.05 3.58 3.68 -0.22 -4.93 116.67 121.39 1uir s ASP 139 Ca 0.15 -0.36 -0.30 0.00 2.13 0.00 0.00 52.55 54.18 1uir s ASP 139 Cb -0.19 0.33 -0.03 0.00 -1.45 0.00 0.00 42.92 41.58 1uir s ASP 139 CO 0.12 -0.63 1.16 -0.62 0.13 0.00 0.00 175.17 175.32 1uir s ASP 140 N -3.21 7.11 0.18 -0.34 2.15 -1.26 -2.67 116.67 118.62 1uir s ASP 140 Ca 0.18 1.78 -0.19 0.00 0.43 0.00 0.00 52.55 54.76 1uir s ASP 140 Cb 0.00 -2.56 0.13 0.00 -0.30 0.00 0.00 42.92 40.20 1uir s ASP 140 CO 0.01 -0.53 1.62 0.00 -0.17 0.00 0.00 175.17 176.10 1uir h ALA 141 N 7.28 0.11 -0.35 3.66 0.00 -1.95 0.15 119.26 128.15 1uir h ALA 141 Ca -0.35 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1uir h ALA 141 Cb 1.17 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1uir h ALA 141 CO 0.86 -0.58 0.17 0.00 0.00 0.00 0.00 179.25 179.70 1uir h ARG 142 N -0.12 0.51 -0.20 0.00 3.08 -1.96 0.85 114.38 116.54 1uir h ARG 142 Ca 0.23 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1uir h ARG 142 Cb 0.48 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1uir h ARG 142 CO -0.57 0.46 -0.06 0.00 -1.07 0.00 0.00 179.97 178.73 1uir h ALA 143 N 1.02 0.12 -0.16 0.04 0.00 -1.77 0.48 119.26 118.98 1uir h ALA 143 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1uir h ALA 143 Cb 0.12 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1uir h ALA 143 CO -0.01 -0.49 0.06 -0.92 0.00 0.00 0.00 179.25 177.88 1uir h TYR 144 N -0.02 0.10 -0.62 0.00 5.03 -0.45 -1.68 116.97 119.33 1uir h TYR 144 Ca 0.10 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 1uir h TYR 144 Cb 0.17 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 1uir h TYR 144 CO -0.22 0.05 0.19 -0.07 -1.32 0.00 0.00 178.16 176.79 1uir h LEU 145 N 0.14 0.86 -0.91 2.82 3.38 -0.34 0.58 115.31 121.84 1uir h LEU 145 Ca 0.07 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1uir h LEU 145 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1uir h LEU 145 CO -0.07 0.81 -0.03 -0.33 0.09 0.00 0.00 178.44 178.91 1uir h GLU 146 N 0.90 0.77 0.00 1.13 4.39 0.27 -3.31 114.58 118.74 1uir h GLU 146 Ca 0.20 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1uir h GLU 146 Cb 0.26 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1uir h GLU 146 CO -0.01 0.80 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.54 1uir h ARG 147 N 0.71 0.00 -7.19 2.33 2.43 -1.01 -3.47 114.38 108.18 1uir h ARG 147 Ca 0.13 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.84 1uir h ARG 147 Cb 0.48 0.00 0.20 0.00 -0.42 0.00 0.00 29.97 30.24 1uir h ARG 147 CO 0.02 0.46 0.08 -0.08 -1.51 0.00 0.00 179.97 178.95 1uir s THR 148 N -1.86 2.06 0.00 0.20 -1.32 0.17 -4.98 115.64 109.91 1uir s THR 148 Ca -0.09 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1uir s THR 148 Cb -0.01 -2.09 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 1uir s THR 148 CO 0.32 -0.03 0.26 -1.84 -2.21 0.00 0.00 174.62 171.12 1uir n GLU 149 N -4.69 0.00 -2.31 7.08 0.28 -1.26 -4.87 120.64 114.87 1uir n GLU 149 Ca 0.06 -0.26 -0.36 0.00 -0.16 0.00 0.00 57.16 56.43 1uir n GLU 149 Cb 0.54 -0.45 -0.01 0.00 1.43 0.00 0.00 31.44 32.94 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 0.00 3.73 0.31 3.44 2.12 -1.26 -5.04 118.70 122.00 1uir s GLU 150 Ca 0.00 1.68 0.09 0.00 0.36 0.00 0.00 54.97 57.10 1uir s GLU 150 Cb 0.00 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 1uir s GLU 150 CO 0.00 -0.56 0.10 1.03 -0.54 0.00 0.00 175.26 175.29 1uir s ARG 151 N -2.83 2.36 0.12 4.30 0.52 -1.26 -4.84 118.95 117.32 1uir s ARG 151 Ca 0.65 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 1uir s ARG 151 Cb -0.26 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1uir s ARG 151 CO 0.31 0.20 -0.10 0.71 0.02 0.00 0.00 175.30 176.44 1uir s TYR 152 N -2.39 1.13 0.04 -0.53 1.51 0.16 -4.83 117.35 112.43 1uir s TYR 152 Ca 0.35 -0.73 -0.09 0.00 -1.01 0.00 0.00 57.07 55.60 1uir s TYR 152 Cb -0.04 -0.60 -0.31 0.00 -0.11 0.00 0.00 41.96 40.90 1uir s TYR 152 CO 0.22 0.02 1.00 -0.44 -1.11 0.00 0.00 175.55 175.24 1uir h ASP 153 N 3.17 0.59 -3.75 2.29 3.45 -1.16 0.24 116.42 121.25 1uir h ASP 153 Ca -0.37 -0.68 -0.27 0.00 0.43 0.00 0.00 57.03 56.14 1uir h ASP 153 Cb 1.19 -0.19 -0.29 0.00 -0.56 0.00 0.00 39.33 39.47 1uir h ASP 153 CO 0.59 1.54 -0.73 -0.69 -1.57 0.00 0.00 179.24 178.38 1uir s VAL 154 N -2.62 0.12 -0.09 -1.35 1.01 -1.13 -1.23 120.40 115.11 1uir s VAL 154 Ca -0.08 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1uir s VAL 154 Cb 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.32 1uir s VAL 154 CO 0.90 0.05 -0.17 -0.69 0.00 0.00 0.00 175.10 175.19 1uir s VAL 155 N 0.11 1.53 -0.20 2.92 1.01 -0.86 -1.34 120.40 123.57 1uir s VAL 155 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1uir s VAL 155 Cb -0.02 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 1uir s VAL 155 CO -0.00 0.44 -0.09 -0.63 0.00 0.00 0.00 175.10 174.82 1uir s ILE 156 N 0.63 2.98 -0.32 2.22 -1.09 0.42 -0.67 121.20 125.37 1uir s ILE 156 Ca -0.14 -0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 57.54 1uir s ILE 156 Cb -0.16 -2.33 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 1uir s ILE 156 CO 0.04 0.46 0.18 -0.63 -1.23 0.00 0.00 174.94 173.76 1uir s ILE 157 N 1.36 4.82 -0.63 2.92 1.01 0.25 -0.92 121.20 130.01 1uir s ILE 157 Ca 0.05 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.42 1uir s ILE 157 Cb -0.14 -3.45 0.21 0.00 0.01 0.00 0.00 42.46 39.09 1uir s ILE 157 CO -0.06 0.06 0.60 -0.67 0.00 0.00 0.00 174.94 174.87 1uir n ASP 158 N 5.02 2.88 -4.77 3.58 4.64 0.39 -2.46 116.55 125.83 1uir n ASP 158 Ca -0.14 -3.22 -0.29 0.00 -1.38 0.00 0.00 54.79 49.77 1uir n ASP 158 Cb 0.49 -0.69 -0.06 0.00 -1.04 0.00 0.00 41.12 39.82 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 -1.80 2.64 0.04 -2.67 1.43 -1.26 -2.34 118.68 114.72 1uir s LEU 159 Ca 0.33 -1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.03 1uir s LEU 159 Cb 0.07 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1uir s LEU 159 CO -0.09 -0.79 0.19 0.28 0.23 0.00 0.00 176.35 176.16 1uir s THR 160 N -2.77 5.34 0.45 5.49 -1.32 -1.26 -4.92 115.64 116.66 1uir s THR 160 Ca 0.24 -0.33 -0.23 0.00 -1.21 0.00 0.00 61.69 60.16 1uir s THR 160 Cb 0.02 -3.57 -0.10 0.00 -1.51 0.00 0.00 72.50 67.35 1uir s THR 160 CO 0.13 0.21 0.91 0.47 -2.21 0.00 0.00 174.62 174.13 1uir n ASP 161 N 0.54 0.75 -3.87 8.08 9.92 -1.26 -4.85 116.55 125.85 1uir n ASP 161 Ca -0.07 0.97 -0.42 0.00 -0.53 0.00 0.00 54.79 54.73 1uir n ASP 161 Cb 0.52 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 1uir n ASP 161 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1uir n PRO 162 N 0.04 3.15 -3.45 -0.24 -0.04 -1.26 -4.92 135.00 128.27 1uir n PRO 162 Ca 0.10 -3.00 -0.38 0.00 -0.04 0.00 0.00 63.50 60.18 1uir n PRO 162 Cb 0.41 -3.18 -0.09 0.00 -0.04 0.00 0.00 33.50 30.60 1uir n PRO 162 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uir s VAL 163 N 2.32 5.22 0.00 0.52 1.01 -1.26 -0.96 120.40 127.24 1uir s VAL 163 Ca 0.45 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1uir s VAL 163 Cb 0.11 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1uir s VAL 163 CO -0.04 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1uir n GLY 164 N 4.50 2.89 0.36 4.51 0.00 -0.25 -4.70 105.19 112.50 1uir n GLY 164 Ca -0.10 -1.29 -0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 1.15 -0.01 1.61 4.81 -1.90 -2.42 114.58 117.82 1uir h GLU 165 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1uir h GLU 165 Cb 0.00 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1uir h GLU 165 CO 0.00 0.76 -0.06 -0.40 -0.73 0.00 0.00 179.01 178.58 1uir n ASP 166 N -4.41 0.83 -4.67 1.04 5.68 -1.26 -4.87 116.55 108.88 1uir n ASP 166 Ca 0.10 -1.06 -0.42 0.00 -0.50 0.00 0.00 54.79 52.92 1uir n ASP 166 Cb 0.04 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 1uir n ASP 166 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1uir s ASN 167 N -2.19 6.63 0.00 -1.12 3.84 -0.91 -4.87 114.94 116.31 1uir s ASN 167 Ca 0.36 2.35 0.11 0.00 0.21 0.00 0.00 52.86 55.90 1uir s ASN 167 Cb 0.21 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.86 1uir s ASN 167 CO 0.40 -0.92 1.35 -0.81 -2.79 0.00 0.00 177.10 174.34 1uir n PRO 168 N 6.69 0.02 0.29 0.43 -0.04 -1.26 -2.43 135.00 138.68 1uir n PRO 168 Ca 0.17 0.29 0.15 0.00 -0.04 0.00 0.00 63.50 64.07 1uir n PRO 168 Cb 0.42 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.23 1uir n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uir h ALA 169 N 2.40 1.33 -0.98 0.55 0.00 -1.93 -2.61 119.26 118.02 1uir h ALA 169 Ca 0.00 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.04 1uir h ALA 169 Cb 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 1uir h ALA 169 CO 0.00 0.07 0.58 0.00 0.00 0.00 0.00 179.25 179.90 1uir h ARG 170 N 0.00 0.71 0.00 0.00 3.08 -1.77 0.91 114.38 117.30 1uir h ARG 170 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1uir h ARG 170 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1uir h ARG 170 CO 0.01 0.47 0.00 1.28 -1.07 0.00 0.00 179.97 180.66 1uir n LEU 171 N -4.79 0.00 -1.10 3.04 4.77 -0.98 -2.17 117.00 115.77 1uir n LEU 171 Ca 0.22 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.78 1uir n LEU 171 Cb 0.56 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 1uir n LEU 171 CO 0.21 -0.21 0.69 0.18 -1.33 0.00 0.00 177.39 176.93 1uir n LEU 172 N -1.46 3.40 -0.36 2.23 4.77 0.31 -4.27 117.00 121.61 1uir n LEU 172 Ca 0.05 -1.58 0.07 0.00 -0.03 0.00 0.00 56.01 54.52 1uir n LEU 172 Cb 0.18 -0.26 0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1uir n LEU 172 CO 0.14 0.75 0.43 -1.22 -1.33 0.00 0.00 177.39 176.17 1uir n TYR 173 N 1.38 0.00 -3.59 -1.77 4.02 -0.92 -4.87 117.16 111.42 1uir n TYR 173 Ca 0.19 -0.92 -0.22 0.00 -0.01 0.00 0.00 57.90 56.94 1uir n TYR 173 Cb 0.58 -0.16 -0.01 0.00 -0.02 0.00 0.00 39.34 39.73 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 -2.29 4.98 0.48 -0.72 -4.23 -1.25 -4.65 115.64 107.97 1uir s THR 174 Ca 0.28 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 60.21 1uir s THR 174 Cb 0.26 -3.79 0.25 0.00 1.34 0.00 0.00 72.50 70.56 1uir s THR 174 CO -0.01 -0.41 2.09 1.62 -0.54 0.00 0.00 174.62 177.36 1uir h VAL 175 N 0.90 1.05 -0.62 2.29 3.04 -0.69 -1.68 116.25 120.54 1uir h VAL 175 Ca -0.50 -0.20 -0.08 0.00 -1.01 0.00 0.00 66.70 64.90 1uir h VAL 175 Cb 1.23 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 1uir h VAL 175 CO 0.60 0.07 0.06 -0.33 -1.01 0.00 0.00 177.57 176.96 1uir h GLU 176 N 0.11 1.05 -0.38 4.17 3.07 -1.94 -1.50 114.58 119.17 1uir h GLU 176 Ca 0.03 -0.30 0.01 0.00 -0.50 0.00 0.00 59.36 58.59 1uir h GLU 176 Cb 0.07 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1uir h GLU 176 CO 0.00 1.00 0.24 0.35 -1.40 0.00 0.00 179.01 179.20 1uir h PHE 177 N 0.96 0.45 -0.05 4.33 3.04 -1.59 0.33 116.94 124.41 1uir h PHE 177 Ca 0.18 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 1uir h PHE 177 Cb 0.48 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1uir h PHE 177 CO 0.04 0.27 -0.21 1.88 -2.02 0.00 0.00 178.31 178.27 1uir h TYR 178 N 0.48 0.09 -0.14 0.41 0.99 -1.27 0.25 116.97 117.78 1uir h TYR 178 Ca 0.15 -0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.68 1uir h TYR 178 Cb -0.03 -0.02 -0.00 0.00 1.00 0.00 0.00 36.73 37.68 1uir h TYR 178 CO -0.06 0.29 -0.67 0.00 -0.00 0.00 0.00 178.16 177.72 1uir h ARG 179 N 0.08 0.56 -0.59 4.88 3.08 -0.68 -0.11 114.38 121.60 1uir h ARG 179 Ca 0.01 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1uir h ARG 179 Cb 0.42 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1uir h ARG 179 CO 0.03 1.04 0.25 1.25 -1.07 0.00 0.00 179.97 181.46 1uir h LEU 180 N 0.40 0.81 -0.08 3.04 5.85 -0.13 -0.45 115.31 124.75 1uir h LEU 180 Ca -0.02 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1uir h LEU 180 Cb 1.25 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1uir h LEU 180 CO 0.13 0.75 0.04 0.58 -0.34 0.00 0.00 178.44 179.59 1uir h VAL 181 N 0.82 1.12 -0.34 1.05 2.07 -0.81 -2.62 116.25 117.53 1uir h VAL 181 Ca 0.20 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1uir h VAL 181 Cb 0.19 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1uir h VAL 181 CO -0.02 0.10 0.23 0.50 0.02 0.00 0.00 177.57 178.40 1uir h LYS 182 N -0.00 0.30 0.00 1.57 3.64 -0.73 0.17 116.57 121.52 1uir h LYS 182 Ca 0.03 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1uir h LYS 182 Cb 0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1uir h LYS 182 CO -0.00 0.20 -0.20 0.00 -2.27 0.00 0.00 179.45 177.17 1uir h ALA 183 N 1.81 1.63 -0.50 5.00 0.00 -0.71 -2.28 119.26 124.22 1uir h ALA 183 Ca 0.14 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1uir h ALA 183 Cb 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1uir h ALA 183 CO -0.03 0.25 0.17 0.72 0.00 0.00 0.00 179.25 180.36 1uir n HIS 184 N -4.25 1.67 -4.52 0.00 8.25 0.04 -4.90 115.22 111.52 1uir n HIS 184 Ca -0.02 -0.84 -0.34 0.00 -0.26 0.00 0.00 57.72 56.26 1uir n HIS 184 Cb 0.26 -0.51 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 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 -2.00 3.27 0.82 2.41 1.43 -0.86 0.35 118.68 124.10 1uir s LEU 185 Ca 0.38 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1uir s LEU 185 Cb 0.30 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.86 1uir s LEU 185 CO 0.09 0.31 1.09 0.20 0.23 0.00 0.00 176.35 178.28 1uir s ASN 186 N -0.51 4.27 0.36 2.29 0.02 0.84 -4.77 114.94 117.43 1uir s ASN 186 Ca 0.08 1.44 -0.28 0.00 -1.02 0.00 0.00 52.86 53.08 1uir s ASN 186 Cb -0.12 -2.17 -0.11 0.00 0.02 0.00 0.00 41.25 38.87 1uir s ASN 186 CO 0.02 -2.13 1.42 -2.16 0.02 0.00 0.00 177.10 174.27 1uir s PRO 187 N -5.05 4.20 0.00 -0.60 0.04 -1.26 -1.05 135.00 131.28 1uir s PRO 187 Ca 0.61 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.09 1uir s PRO 187 Cb -0.16 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1uir s PRO 187 CO 0.55 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1uir n GLY 188 N 0.60 0.65 3.81 0.56 0.00 -1.26 -5.03 105.19 104.52 1uir n GLY 188 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.96 2.26 0.06 -0.02 0.00 -0.22 -4.95 107.32 102.49 1uir s GLY 189 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 44.72 45.19 1uir s GLY 189 CO 0.00 0.73 -0.14 -1.34 0.00 0.00 0.00 173.10 172.36 1uir s VAL 190 N -2.31 1.06 -0.06 1.40 -7.23 -0.36 -4.50 120.40 108.39 1uir s VAL 190 Ca 0.64 -1.19 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 1uir s VAL 190 Cb -0.14 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1uir s VAL 190 CO 0.28 -0.17 -0.23 -0.32 -0.31 0.00 0.00 175.10 174.35 1uir s MET 191 N -1.55 2.63 0.03 4.82 1.75 -0.19 -2.02 119.30 124.77 1uir s MET 191 Ca -0.02 -0.86 0.07 0.00 -1.25 0.00 0.00 55.69 53.63 1uir s MET 191 Cb -0.09 -2.23 -0.02 0.00 2.84 0.00 0.00 34.83 35.32 1uir s MET 191 CO 0.02 0.39 -0.21 0.20 -0.65 0.00 0.00 175.02 174.77 1uir s GLY 192 N -0.17 1.10 0.09 2.11 0.00 0.16 -1.02 107.32 109.59 1uir s GLY 192 Ca -0.03 -1.02 -0.22 0.00 0.00 0.00 0.00 44.72 43.45 1uir s GLY 192 CO 0.04 -0.93 0.53 -3.16 0.00 0.00 0.00 173.10 169.58 1uir s MET 193 N -1.00 1.11 0.05 2.90 0.23 -0.84 -0.59 119.30 121.16 1uir s MET 193 Ca 0.08 -0.36 -0.24 0.00 -1.03 0.00 0.00 55.69 54.14 1uir s MET 193 Cb -0.09 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.66 1uir s MET 193 CO 0.01 -0.43 0.72 1.14 -2.03 0.00 0.00 175.02 174.43 1uir s GLN 194 N -3.00 4.45 -0.26 3.16 1.03 -1.03 -1.79 119.66 122.22 1uir s GLN 194 Ca -0.02 0.99 0.12 0.00 0.04 0.00 0.00 55.36 56.49 1uir s GLN 194 Cb -0.00 -3.34 0.46 0.00 0.03 0.00 0.00 33.01 30.16 1uir s GLN 194 CO -0.06 0.34 1.18 2.41 -2.54 0.00 0.00 175.29 176.62 1uir n THR 195 N 2.62 2.11 0.00 3.63 -1.04 0.11 -4.78 114.28 116.94 1uir n THR 195 Ca -0.04 -3.67 0.00 0.00 -2.04 0.00 0.00 64.05 58.30 1uir n THR 195 Cb 0.50 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1uir n THR 195 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uir n GLY 196 N -0.69 -1.20 3.76 3.41 0.00 -1.24 -3.72 105.19 105.51 1uir n GLY 196 Ca 0.31 -1.52 -0.32 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 2.31 -0.16 1.61 0.23 -1.26 -0.52 119.30 118.10 1uir s MET 197 Ca 0.00 1.28 0.01 0.00 -1.03 0.00 0.00 55.69 55.95 1uir s MET 197 Cb 0.00 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 31.41 1uir s MET 197 CO 0.00 -1.62 -0.17 0.42 -2.03 0.00 0.00 175.02 171.63 1uir s ILE 198 N -2.69 2.52 -0.29 3.16 1.01 0.41 -4.22 121.20 121.10 1uir s ILE 198 Ca 0.64 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 1uir s ILE 198 Cb -0.19 -2.06 0.18 0.00 0.01 0.00 0.00 42.46 40.41 1uir s ILE 198 CO 0.52 0.52 0.56 -0.22 0.00 0.00 0.00 174.94 176.32 1uir s LEU 199 N 0.88 -1.28 0.00 2.97 2.96 -1.26 -4.36 118.68 118.59 1uir s LEU 199 Ca -0.04 0.75 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 1uir s LEU 199 Cb -0.15 2.00 0.00 0.00 0.50 0.00 0.00 46.19 48.54 1uir s LEU 199 CO -0.02 -0.27 0.00 0.18 -1.32 0.00 0.00 176.35 174.93 1uir n LEU 200 N 5.42 0.00 -0.18 -0.68 4.77 -1.26 -5.05 117.00 120.02 1uir n LEU 200 Ca -0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1uir n LEU 200 Cb 0.51 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1uir n LEU 200 CO 0.03 0.00 0.32 0.54 -1.33 0.00 0.00 177.39 176.95 1uir n ARG 204 N 0.00 0.55 0.11 3.23 1.74 -1.26 -5.20 116.66 115.84 1uir n ARG 204 Ca 0.00 -1.03 -0.13 0.00 -0.77 0.00 0.00 57.85 55.92 1uir n ARG 204 Cb 0.00 -0.68 -0.06 0.00 -1.02 0.00 0.00 32.46 30.70 1uir n ARG 204 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1uir h VAL 205 N 3.61 0.53 -0.37 1.55 2.07 -1.90 -0.62 116.25 121.12 1uir h VAL 205 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1uir h VAL 205 Cb 1.07 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1uir h VAL 205 CO 0.00 0.00 0.22 -0.74 0.02 0.00 0.00 177.57 177.07 1uir h HIS 206 N -0.40 0.48 -0.38 1.57 -0.00 -1.73 -0.57 115.15 114.11 1uir h HIS 206 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1uir h HIS 206 Cb 0.42 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 1uir h HIS 206 CO -0.19 0.34 0.05 -1.35 -0.00 0.00 0.00 177.93 176.78 1uir h PRO 207 N 0.48 0.57 -0.32 5.26 0.11 -1.84 -0.49 132.00 135.78 1uir h PRO 207 Ca 0.13 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 1uir h PRO 207 Cb -0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1uir h PRO 207 CO -0.03 0.56 -0.21 0.28 -0.21 0.00 0.00 178.00 178.39 1uir h VAL 208 N 0.56 1.29 -0.54 3.15 2.07 -0.75 -0.79 116.25 121.25 1uir h VAL 208 Ca 0.12 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1uir h VAL 208 Cb 0.28 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1uir h VAL 208 CO 0.00 0.44 0.21 0.58 0.02 0.00 0.00 177.57 178.82 1uir h VAL 209 N 0.46 1.22 -0.24 2.57 2.07 -0.77 0.37 116.25 121.93 1uir h VAL 209 Ca 0.06 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1uir h VAL 209 Cb 0.76 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1uir h VAL 209 CO 0.06 0.26 0.05 -0.74 0.02 0.00 0.00 177.57 177.22 1uir h HIS 210 N 0.73 0.09 -0.69 1.57 6.17 -0.95 0.28 115.15 122.35 1uir h HIS 210 Ca 0.18 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.25 1uir h HIS 210 Cb 0.20 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.10 1uir h HIS 210 CO 0.01 0.03 0.36 -0.09 0.71 0.00 0.00 177.93 178.95 1uir h ARG 211 N 0.15 0.97 -0.40 5.26 9.65 -0.82 -1.52 114.38 127.67 1uir h ARG 211 Ca 0.11 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1uir h ARG 211 Cb 0.10 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 1uir h ARG 211 CO -0.14 0.74 0.14 1.15 2.80 0.00 0.00 179.97 184.66 1uir h THR 212 N 0.95 1.21 -0.52 0.20 2.02 -0.51 -2.66 112.91 113.60 1uir h THR 212 Ca 0.24 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1uir h THR 212 Cb 0.07 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1uir h THR 212 CO -0.04 0.24 0.16 0.58 0.37 0.00 0.00 175.52 176.83 1uir h VAL 213 N 0.51 1.21 0.00 3.16 2.07 -0.79 -1.66 116.25 120.75 1uir h VAL 213 Ca 0.13 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1uir h VAL 213 Cb 0.24 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1uir h VAL 213 CO -0.01 0.27 0.00 -0.09 0.02 0.00 0.00 177.57 177.76 1uir h ARG 214 N 0.75 0.00 -0.00 1.57 9.65 -0.95 0.12 114.38 125.52 1uir h ARG 214 Ca 0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1uir h ARG 214 Cb 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1uir h ARG 214 CO -0.01 0.00 -0.08 -1.91 2.80 0.00 0.00 179.97 180.77 1uir n GLU 215 N -2.61 0.42 -0.00 0.20 4.07 -0.62 -3.89 120.64 118.19 1uir n GLU 215 Ca 0.00 -0.09 -0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1uir n GLU 215 Cb 0.20 -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 -1.21 2.01 -2.49 4.31 0.00 0.24 -5.06 120.51 118.31 1uir n ALA 216 Ca 0.12 -0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.24 1uir n ALA 216 Cb 0.28 0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.07 1.91 0.06 0.00 0.08 -0.16 -4.88 117.98 112.92 1uir s PHE 217 Ca -0.01 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 1uir s PHE 217 Cb 0.01 -1.07 -0.12 0.00 -0.57 0.00 0.00 43.02 41.27 1uir s PHE 217 CO 0.06 0.19 1.42 -0.09 -0.10 0.00 0.00 175.22 176.70 1uir h ARG 218 N 4.28 0.41 -5.00 0.44 1.12 -1.84 -3.42 114.38 110.37 1uir h ARG 218 Ca -0.46 -0.18 -0.66 0.00 -1.11 0.00 0.00 59.98 57.57 1uir h ARG 218 Cb 1.17 -0.01 -0.29 0.00 -0.01 0.00 0.00 29.97 30.83 1uir h ARG 218 CO 0.41 0.71 -0.75 0.71 -3.11 0.00 0.00 179.97 177.93 1uir s TYR 219 N -4.57 2.93 -0.10 2.20 1.51 -0.14 -5.02 117.35 114.16 1uir s TYR 219 Ca -0.14 -1.12 0.00 0.00 -1.01 0.00 0.00 57.07 54.80 1uir s TYR 219 Cb 0.06 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1uir s TYR 219 CO 0.76 -0.61 -0.08 0.08 -1.11 0.00 0.00 175.55 174.58 1uir s VAL 220 N 1.43 1.01 -0.19 0.71 1.01 -1.26 -1.35 120.40 121.77 1uir s VAL 220 Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 1uir s VAL 220 Cb -0.14 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.28 1uir s VAL 220 CO -0.05 0.35 -0.06 -0.13 0.00 0.00 0.00 175.10 175.21 1uir s ARG 221 N 1.40 1.53 0.36 2.72 3.00 0.23 -4.97 118.95 123.21 1uir s ARG 221 Ca -0.01 -0.68 -0.25 0.00 0.00 0.00 0.00 55.73 54.79 1uir s ARG 221 Cb -0.13 -2.22 -0.09 0.00 0.00 0.00 0.00 34.95 32.50 1uir s ARG 221 CO -0.05 -0.48 1.02 -1.12 0.00 0.00 0.00 175.30 174.67 1uir s SER 222 N 1.55 7.01 0.04 0.23 0.01 -1.26 -1.26 113.70 120.03 1uir s SER 222 Ca -0.01 2.00 -0.05 0.00 1.31 0.00 0.00 55.95 59.20 1uir s SER 222 Cb -0.16 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1uir s SER 222 CO -0.07 -0.31 0.09 -0.72 0.41 0.00 0.00 173.24 172.63 1uir s TYR 223 N -1.58 0.24 0.11 2.43 1.13 0.28 -4.64 117.35 115.32 1uir s TYR 223 Ca 0.54 -0.59 -0.00 0.00 -1.41 0.00 0.00 57.07 55.60 1uir s TYR 223 Cb -0.22 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.43 1uir s TYR 223 CO 0.28 -0.38 0.00 -1.59 -2.51 0.00 0.00 175.55 171.35 1uir s LYS 224 N -2.90 0.85 -0.21 -3.49 -2.85 -0.88 0.30 119.74 110.56 1uir s LYS 224 Ca -0.02 -1.38 -0.27 0.00 -1.00 0.00 0.00 55.97 53.30 1uir s LYS 224 Cb 0.01 0.08 0.08 0.00 -2.06 0.00 0.00 37.83 35.94 1uir s LYS 224 CO -0.06 -0.16 0.78 1.21 0.10 0.00 0.00 175.35 177.22 1uir s ASN 225 N -3.03 -0.66 0.01 0.03 2.47 -0.68 -4.70 114.94 108.38 1uir s ASN 225 Ca 0.17 1.12 -0.30 0.00 0.42 0.00 0.00 52.86 54.28 1uir s ASN 225 Cb 0.07 1.09 -0.04 0.00 -1.45 0.00 0.00 41.25 40.92 1uir s ASN 225 CO -0.02 -0.32 1.04 -2.28 -3.72 0.00 0.00 177.10 171.80 1uir s HIS 226 N -0.10 3.59 -0.42 0.43 5.65 -1.26 -0.89 115.29 122.29 1uir s HIS 226 Ca -0.02 1.58 -0.07 0.00 0.25 0.00 0.00 55.06 56.80 1uir s HIS 226 Cb -0.04 -3.21 0.09 0.00 -1.18 0.00 0.00 32.58 28.25 1uir s HIS 226 CO 0.02 -0.37 0.24 0.42 -0.65 0.00 0.00 174.74 174.40 1uir s ILE 227 N 1.07 3.89 0.21 0.89 -1.09 -0.34 -4.94 121.20 120.90 1uir s ILE 227 Ca 0.54 -1.64 -0.20 0.00 -2.23 0.00 0.00 60.65 57.12 1uir s ILE 227 Cb -0.23 -3.47 0.17 0.00 -1.58 0.00 0.00 42.46 37.35 1uir s ILE 227 CO 0.28 -0.57 1.55 -0.65 -1.23 0.00 0.00 174.94 174.32 1uir h PRO 228 N 8.29 -0.01 0.00 2.79 0.11 -1.92 -0.20 132.00 141.07 1uir h PRO 228 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1uir h PRO 228 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1uir h PRO 228 CO 0.74 -0.01 0.00 0.78 -0.21 0.00 0.00 178.00 179.31 1uir h GLY 229 N -0.01 0.00 0.39 -0.55 0.00 -1.94 -2.36 103.07 98.60 1uir h GLY 229 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1uir h GLY 229 CO -0.96 0.00 -1.21 0.69 0.00 0.00 0.00 176.54 175.06 1uir n PHE 230 N -2.92 0.19 -3.29 5.60 3.72 -0.16 -4.96 117.46 115.65 1uir n PHE 230 Ca -0.01 0.06 -0.24 0.00 -0.05 0.00 0.00 57.45 57.21 1uir n PHE 230 Cb 0.19 -0.39 0.04 0.00 -0.94 0.00 0.00 39.48 38.38 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 -1.97 -2.21 -3.88 1.38 3.01 -0.78 -4.97 117.46 108.04 1uir n PHE 231 Ca 0.01 0.68 -0.10 0.00 1.01 0.00 0.00 57.45 59.04 1uir n PHE 231 Cb 0.45 -4.41 -0.09 0.00 -0.01 0.00 0.00 39.48 35.42 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 -6.88 1.59 -0.17 4.37 1.02 -1.22 -5.03 118.68 112.36 1uir s LEU 232 Ca 0.42 -0.34 -0.21 0.00 0.02 0.00 0.00 54.13 54.02 1uir s LEU 232 Cb -0.19 0.71 -0.03 0.00 0.02 0.00 0.00 46.19 46.70 1uir s LEU 232 CO 0.52 -0.45 0.62 0.21 0.02 0.00 0.00 176.35 177.27 1uir s ASN 233 N -1.76 6.74 0.02 2.29 3.84 -1.26 -1.20 114.94 123.61 1uir s ASN 233 Ca -0.10 0.89 0.03 0.00 0.21 0.00 0.00 52.86 53.90 1uir s ASN 233 Cb -0.04 -2.35 -0.04 0.00 -0.55 0.00 0.00 41.25 38.27 1uir s ASN 233 CO -0.01 -0.22 -0.05 -0.36 -2.79 0.00 0.00 177.10 173.67 1uir s PHE 234 N 1.59 2.93 0.06 0.43 0.08 -0.07 -0.45 117.98 122.55 1uir s PHE 234 Ca 0.30 -0.02 -0.03 0.00 0.12 0.00 0.00 56.93 57.30 1uir s PHE 234 Cb -0.16 -1.60 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 1uir s PHE 234 CO 0.12 0.41 0.26 0.20 -0.10 0.00 0.00 175.22 176.10 1uir s GLY 235 N -1.63 2.21 0.23 4.36 0.00 0.32 -1.69 107.32 111.12 1uir s GLY 235 Ca 0.19 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.15 1uir s GLY 235 CO 0.10 -0.65 0.25 -1.36 0.00 0.00 0.00 173.10 171.44 1uir s PHE 236 N -1.49 0.97 0.11 1.90 0.08 0.15 0.08 117.98 119.78 1uir s PHE 236 Ca 0.34 -1.21 -0.23 0.00 0.12 0.00 0.00 56.93 55.95 1uir s PHE 236 Cb -0.13 -0.35 0.06 0.00 -0.57 0.00 0.00 43.02 42.04 1uir s PHE 236 CO 0.24 -0.77 0.56 -0.48 -0.10 0.00 0.00 175.22 174.67 1uir s LEU 237 N -3.14 -0.33 0.00 -0.37 0.05 -0.74 -0.55 118.68 113.60 1uir s LEU 237 Ca 0.34 0.06 0.08 0.00 0.05 0.00 0.00 54.13 54.66 1uir s LEU 237 Cb 0.04 2.38 -0.02 0.00 -2.05 0.00 0.00 46.19 46.54 1uir s LEU 237 CO 0.12 -0.87 -0.24 -0.76 -0.55 0.00 0.00 176.35 174.05 1uir s LEU 238 N -2.44 2.20 -0.04 1.48 1.02 -0.39 -1.99 118.68 118.52 1uir s LEU 238 Ca -0.01 -0.48 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 1uir s LEU 238 Cb -0.00 -1.36 0.02 0.00 0.02 0.00 0.00 46.19 44.87 1uir s LEU 238 CO -0.08 0.30 0.10 0.00 0.02 0.00 0.00 176.35 176.68 1uir s ALA 239 N -0.71 -0.21 0.13 4.21 0.00 -0.19 -0.60 121.76 124.39 1uir s ALA 239 Ca 0.11 0.33 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1uir s ALA 239 Cb -0.10 -0.21 0.07 0.00 0.00 0.00 0.00 23.12 22.88 1uir s ALA 239 CO 0.01 -0.07 0.58 0.45 0.00 0.00 0.00 175.76 176.73 1uir s SER 240 N 0.32 -0.54 -0.06 0.00 0.15 -0.45 -1.03 113.70 112.09 1uir s SER 240 Ca -0.02 0.04 0.13 0.00 0.70 0.00 0.00 55.95 56.79 1uir s SER 240 Cb -0.03 0.58 -0.19 0.00 -1.71 0.00 0.00 66.02 64.66 1uir s SER 240 CO -0.01 -0.92 0.19 0.47 1.20 0.00 0.00 173.24 174.17 1uir n ASP 241 N -0.21 1.88 0.13 5.45 10.43 -1.26 -0.97 116.55 131.99 1uir n ASP 241 Ca -0.17 0.00 -0.00 0.00 2.57 0.00 0.00 54.79 57.18 1uir n ASP 241 Cb 0.64 1.28 0.10 0.00 1.84 0.00 0.00 41.12 44.97 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 0.98 0.74 -1.96 2.24 0.00 -1.93 -3.46 119.26 115.87 1uir h ALA 242 Ca -0.15 -0.58 0.21 0.00 0.00 0.00 0.00 54.91 54.39 1uir h ALA 242 Cb 1.12 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1uir h ALA 242 CO 0.01 0.80 0.63 -0.59 0.00 0.00 0.00 179.25 180.10 1uir s PHE 243 N -3.21 -0.16 -0.59 0.00 -0.71 -1.26 -4.96 117.98 107.08 1uir s PHE 243 Ca 0.01 -0.01 -0.28 0.00 -1.04 0.00 0.00 56.93 55.61 1uir s PHE 243 Cb 0.10 0.57 0.03 0.00 -1.21 0.00 0.00 43.02 42.52 1uir s PHE 243 CO 0.76 -0.51 1.18 0.34 -1.34 0.00 0.00 175.22 175.64 1uir s ASP 244 N -2.71 6.41 0.59 1.98 -1.08 -1.26 -4.53 116.67 116.07 1uir s ASP 244 Ca 0.10 0.01 0.38 0.00 -0.52 0.00 0.00 52.55 52.53 1uir s ASP 244 Cb 0.00 -2.54 2.08 0.00 -1.46 0.00 0.00 42.92 41.00 1uir s ASP 244 CO -0.03 -1.50 2.17 1.55 0.52 0.00 0.00 175.17 177.88 1uir h PRO 245 N 9.58 0.00 -0.52 4.34 0.13 -1.92 -2.28 132.00 141.33 1uir h PRO 245 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 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 1.19 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.96 1uir n ALA 246 N -1.99 2.41 -2.80 -0.56 0.00 -1.26 -4.74 120.51 111.56 1uir n ALA 246 Ca -0.03 -1.33 -0.44 0.00 0.00 0.00 0.00 53.44 51.65 1uir n ALA 246 Cb 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.93 4.33 -2.30 0.00 0.00 -0.86 -4.98 120.51 117.63 1uir n ALA 247 Ca 0.19 -4.30 -0.42 0.00 0.00 0.00 0.00 53.44 48.90 1uir n ALA 247 Cb 0.58 -2.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.01 1uir n ALA 247 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1uir s PHE 248 N 1.01 2.78 0.06 0.00 0.40 -1.26 -5.02 117.98 115.95 1uir s PHE 248 Ca 0.41 0.86 -0.20 0.00 -0.60 0.00 0.00 56.93 57.40 1uir s PHE 248 Cb 0.00 -3.61 -0.06 0.00 0.51 0.00 0.00 43.02 39.86 1uir s PHE 248 CO 0.00 -2.22 0.58 -1.12 0.70 0.00 0.00 175.22 173.16 1uir s SER 249 N 2.06 7.05 0.03 1.36 0.01 -1.26 -4.98 113.70 117.97 1uir s SER 249 Ca 0.61 1.25 -0.39 0.00 1.31 0.00 0.00 55.95 58.73 1uir s SER 249 Cb -0.27 -2.36 -0.18 0.00 0.21 0.00 0.00 66.02 63.41 1uir s SER 249 CO 0.22 0.24 1.21 1.21 0.41 0.00 0.00 173.24 176.53 1uir n GLU 250 N 1.90 0.54 0.00 12.44 2.13 -1.26 -1.78 120.64 134.60 1uir n GLU 250 Ca -0.10 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1uir n GLU 250 Cb 0.51 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1uir n GLU 250 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uir n GLY 251 N 2.02 1.64 0.06 8.31 0.00 -1.26 -4.88 105.19 111.08 1uir n GLY 251 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1uir n GLY 251 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1uir h VAL 252 N 0.00 1.14 -0.50 1.61 2.07 -1.76 -1.28 116.25 117.53 1uir h VAL 252 Ca 0.00 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1uir h VAL 252 Cb 0.00 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1uir h VAL 252 CO 0.00 0.11 0.22 0.40 0.02 0.00 0.00 177.57 178.32 1uir h ILE 253 N -0.09 1.20 -0.53 4.57 1.08 -1.90 -2.12 117.51 119.72 1uir h ILE 253 Ca 0.01 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 63.91 1uir h ILE 253 Cb 0.16 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 1uir h ILE 253 CO -0.00 0.23 0.30 -0.08 -0.69 0.00 0.00 178.15 177.91 1uir h GLU 254 N 0.67 0.57 -0.82 2.37 4.57 -1.91 -1.78 114.58 118.25 1uir h GLU 254 Ca 0.17 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1uir h GLU 254 Cb 0.16 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1uir h GLU 254 CO -0.02 0.38 0.50 0.00 -1.18 0.00 0.00 179.01 178.69 1uir h ALA 255 N 1.25 1.05 -0.54 2.92 0.00 -0.96 -2.48 119.26 120.50 1uir h ALA 255 Ca 0.22 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1uir h ALA 255 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1uir h ALA 255 CO -0.12 0.50 -0.13 0.00 0.00 0.00 0.00 179.25 179.51 1uir h ARG 256 N 1.12 1.03 -0.20 0.00 3.08 -0.92 0.32 114.38 118.81 1uir h ARG 256 Ca 0.29 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1uir h ARG 256 Cb -0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1uir h ARG 256 CO -0.06 1.08 0.11 0.82 -1.07 0.00 0.00 179.97 180.85 1uir h ILE 257 N 0.91 1.01 -0.19 2.04 2.04 -1.13 0.71 117.51 122.90 1uir h ILE 257 Ca 0.14 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1uir h ILE 257 Cb 0.70 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1uir h ILE 257 CO 0.05 0.04 0.07 0.03 0.00 0.00 0.00 178.15 178.34 1uir h ARG 258 N 0.22 0.29 -0.75 2.37 3.08 -1.30 -1.71 114.38 116.58 1uir h ARG 258 Ca 0.08 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1uir h ARG 258 Cb 0.01 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1uir h ARG 258 CO -0.05 0.37 0.50 1.49 -1.07 0.00 0.00 179.97 181.21 1uir h GLU 259 N 0.15 0.96 -0.14 0.04 4.81 -0.70 -1.93 114.58 117.77 1uir h GLU 259 Ca 0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1uir h GLU 259 Cb 0.19 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1uir h GLU 259 CO -0.00 0.63 0.00 0.54 -0.73 0.00 0.00 179.01 179.45 1uir n ARG 260 N -4.43 1.74 -4.25 1.92 1.74 0.22 -4.94 116.66 108.67 1uir n ARG 260 Ca 0.09 -1.11 -0.35 0.00 -0.77 0.00 0.00 57.85 55.70 1uir n ARG 260 Cb 0.06 -1.42 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.33 -2.20 -4.74 0.55 5.03 -0.67 -4.58 115.26 108.99 1uir n ASN 261 Ca 0.17 -1.08 -0.41 0.00 0.87 0.00 0.00 54.58 54.13 1uir n ASN 261 Cb 0.35 -2.50 -0.03 0.00 -1.02 0.00 0.00 39.78 36.57 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 -7.23 4.43 -1.01 3.41 1.43 -1.06 -4.96 118.68 113.68 1uir s LEU 262 Ca 0.58 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.90 1uir s LEU 262 Cb -0.32 -3.61 0.20 0.00 0.03 0.00 0.00 46.19 42.49 1uir s LEU 262 CO 0.95 -0.48 1.09 0.00 0.23 0.00 0.00 176.35 178.13 1uir s ALA 263 N 0.04 4.07 0.06 4.21 0.00 -1.26 -4.96 121.76 123.92 1uir s ALA 263 Ca 0.55 -3.34 -0.17 0.00 0.00 0.00 0.00 51.96 49.01 1uir s ALA 263 Cb -0.35 -3.79 -0.06 0.00 0.00 0.00 0.00 23.12 18.91 1uir s ALA 263 CO 0.38 -2.54 0.52 -0.51 0.00 0.00 0.00 175.76 173.61 1uir s LEU 264 N 0.70 4.48 -0.05 0.00 1.43 -1.26 -4.98 118.68 119.00 1uir s LEU 264 Ca 0.30 1.13 0.10 0.00 -1.03 0.00 0.00 54.13 54.64 1uir s LEU 264 Cb -0.07 -2.87 -0.15 0.00 0.03 0.00 0.00 46.19 43.12 1uir s LEU 264 CO -0.07 0.26 0.16 0.54 0.23 0.00 0.00 176.35 177.47 1uir n ARG 265 N 1.57 1.14 -0.04 1.70 1.74 -1.26 -4.84 116.66 116.67 1uir n ARG 265 Ca -0.10 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 56.82 1uir n ARG 265 Cb 0.51 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.08 0.00 -2.11 -1.55 -0.00 -1.26 -5.06 115.22 103.16 1uir n HIS 266 Ca -0.08 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.78 1uir n HIS 266 Cb 0.50 -0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 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 -7.02 3.52 0.12 0.27 1.43 -1.26 -5.04 118.68 110.70 1uir s LEU 267 Ca -0.15 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1uir s LEU 267 Cb 0.04 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 1uir s LEU 267 CO 0.21 -1.06 0.01 0.42 0.23 0.00 0.00 176.35 176.15 1uir s THR 268 N -2.48 0.33 0.13 5.49 -4.23 -1.26 -4.85 115.64 108.76 1uir s THR 268 Ca 0.63 -1.91 -0.19 0.00 -1.18 0.00 0.00 61.69 59.04 1uir s THR 268 Cb -0.15 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 1uir s THR 268 CO 0.36 -0.64 1.77 0.00 -0.54 0.00 0.00 174.62 175.57 1uir h ALA 269 N 2.90 0.28 -0.54 3.99 0.00 -1.96 -0.62 119.26 123.31 1uir h ALA 269 Ca -0.35 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1uir h ALA 269 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1uir h ALA 269 CO 0.62 -0.27 0.04 -1.00 0.00 0.00 0.00 179.25 178.65 1uir h PRO 270 N 0.27 0.88 -0.31 0.00 0.13 -1.99 -2.54 132.00 128.44 1uir h PRO 270 Ca 0.09 -0.23 -0.11 0.00 -0.87 0.00 0.00 66.00 64.88 1uir h PRO 270 Cb -0.01 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 1uir h PRO 270 CO -0.04 0.85 -0.27 -0.92 -0.23 0.00 0.00 178.00 177.39 1uir h TYR 271 N 0.83 0.72 -0.20 1.56 5.03 -1.90 -1.15 116.97 121.86 1uir h TYR 271 Ca 0.16 -0.17 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1uir h TYR 271 Cb 0.43 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1uir h TYR 271 CO 0.03 0.84 0.12 1.25 -1.32 0.00 0.00 178.16 179.07 1uir h LEU 272 N 0.55 0.24 -1.24 2.82 6.46 -0.91 -2.28 115.31 120.95 1uir h LEU 272 Ca 0.07 -0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1uir h LEU 272 Cb 0.74 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 1uir h LEU 272 CO 0.06 0.22 -0.29 -0.33 -0.62 0.00 0.00 178.44 177.48 1uir h GLU 273 N 0.24 0.15 0.00 1.25 5.08 -1.31 -2.42 114.58 117.56 1uir h GLU 273 Ca 0.07 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1uir h GLU 273 Cb 0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1uir h GLU 273 CO -0.01 0.43 -0.20 0.00 -1.00 0.00 0.00 179.01 178.22 1uir h ALA 274 N 1.57 1.12 0.00 3.43 0.00 -0.73 -2.58 119.26 122.08 1uir h ALA 274 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1uir h ALA 274 Cb 0.59 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uir h ALA 274 CO 0.04 0.25 -0.02 0.52 0.00 0.00 0.00 179.25 180.04 1uir h MET 275 N 0.00 0.00 -0.01 0.00 2.86 -0.90 -1.14 114.93 115.75 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 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1uir h MET 275 CO 0.03 0.02 -0.12 1.19 1.06 0.00 0.00 176.91 179.09 1uir n PHE 276 N -3.50 0.00 -3.03 -0.22 3.72 -0.97 -2.06 117.46 111.39 1uir n PHE 276 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 1uir n PHE 276 Cb 0.12 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 38.46 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 -2.40 4.73 0.05 -4.37 1.01 -0.43 -4.92 120.40 114.07 1uir s VAL 277 Ca 0.30 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1uir s VAL 277 Cb 0.20 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1uir s VAL 277 CO 0.46 -0.68 0.17 -0.76 0.00 0.00 0.00 175.10 174.29 1uir s LEU 278 N 3.08 4.22 0.77 3.92 1.02 -1.26 -4.99 118.68 125.45 1uir s LEU 278 Ca 0.26 0.21 -0.11 0.00 0.02 0.00 0.00 54.13 54.51 1uir s LEU 278 Cb -0.13 -2.78 0.05 0.00 0.02 0.00 0.00 46.19 43.35 1uir s LEU 278 CO 0.21 0.19 1.08 -2.16 0.02 0.00 0.00 176.35 175.69 1uir s PRO 279 N -2.37 2.30 0.24 1.29 0.04 -1.26 -4.84 135.00 130.40 1uir s PRO 279 Ca 0.32 0.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 1uir s PRO 279 Cb -0.13 -1.93 0.32 0.00 0.04 0.00 0.00 34.50 32.81 1uir s PRO 279 CO 0.25 -1.51 1.86 -0.22 0.04 0.00 0.00 177.00 177.42 1uir h LYS 280 N -1.01 0.97 -0.40 4.56 3.64 -1.99 -1.82 116.57 120.52 1uir h LYS 280 Ca -0.46 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 58.74 1uir h LYS 280 Cb 1.25 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1uir h LYS 280 CO 0.57 0.64 -0.25 0.38 -2.27 0.00 0.00 179.45 178.52 1uir h ASP 281 N 1.00 0.85 -0.32 4.20 3.04 -2.00 -2.10 116.42 121.09 1uir h ASP 281 Ca 0.37 -0.32 -0.08 0.00 -3.24 0.00 0.00 57.03 53.76 1uir h ASP 281 Cb 0.14 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.19 1uir h ASP 281 CO -0.16 1.05 -0.12 0.25 -2.04 0.00 0.00 179.24 178.22 1uir h LEU 282 N 0.71 0.66 -0.84 0.15 6.46 -1.88 -2.12 115.31 118.45 1uir h LEU 282 Ca 0.09 -0.39 0.05 0.00 -0.12 0.00 0.00 57.88 57.51 1uir h LEU 282 Cb 0.78 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.48 1uir h LEU 282 CO 0.06 0.90 0.53 -0.07 -0.62 0.00 0.00 178.44 179.25 1uir h LEU 283 N 0.42 0.85 -0.42 2.25 3.38 -1.27 -0.56 115.31 119.96 1uir h LEU 283 Ca 0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1uir h LEU 283 Cb 0.64 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1uir h LEU 283 CO 0.04 0.56 0.07 -0.33 0.09 0.00 0.00 178.44 178.87 1uir h GLU 284 N 0.99 0.69 -0.64 1.13 5.08 -1.26 0.22 114.58 120.80 1uir h GLU 284 Ca 0.35 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1uir h GLU 284 Cb 0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1uir h GLU 284 CO -0.15 0.73 0.42 0.00 -1.00 0.00 0.00 179.01 179.02 1uir h ALA 285 N 0.93 0.81 -0.24 3.43 0.00 -0.83 -0.32 119.26 123.05 1uir h ALA 285 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1uir h ALA 285 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1uir h ALA 285 CO 0.01 0.25 0.07 -0.07 0.00 0.00 0.00 179.25 179.51 1uir h LEU 286 N 0.87 0.35 -0.82 0.00 3.38 -0.96 -2.55 115.31 115.58 1uir h LEU 286 Ca 0.23 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1uir h LEU 286 Cb -0.10 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1uir h LEU 286 CO -0.05 0.47 0.53 -0.08 0.09 0.00 0.00 178.44 179.40 1uir h GLU 287 N 0.22 1.03 0.00 1.13 4.57 -0.50 -2.93 114.58 118.10 1uir h GLU 287 Ca 0.08 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1uir h GLU 287 Cb 0.25 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1uir h GLU 287 CO -0.00 0.68 -0.21 0.36 -1.18 0.00 0.00 179.01 178.65 1uir n LYS 288 N -4.55 0.28 -1.73 1.92 2.85 -0.17 -4.90 118.16 111.85 1uir n LYS 288 Ca 0.09 0.17 -0.42 0.00 -1.05 0.00 0.00 58.31 57.11 1uir n LYS 288 Cb 0.06 -1.77 -0.02 0.00 -0.65 0.00 0.00 35.03 32.65 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 -2.22 2.77 -0.00 -1.58 4.07 -0.97 -4.90 120.64 117.80 1uir n GLU 289 Ca 0.05 0.99 0.01 0.00 -0.06 0.00 0.00 57.16 58.15 1uir n GLU 289 Cb 0.43 -2.82 -0.02 0.00 -0.06 0.00 0.00 31.44 28.98 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 3.30 0.00 -2.55 6.31 -2.24 -1.26 -4.96 114.28 112.88 1uir n THR 290 Ca 0.13 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1uir n THR 290 Cb 0.36 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.55 4.55 -0.17 -0.78 0.00 -1.26 -5.03 119.30 115.05 1uir s MET 291 Ca 0.00 1.64 0.01 0.00 0.00 0.00 0.00 55.69 57.34 1uir s MET 291 Cb 0.02 -3.35 0.02 0.00 0.00 0.00 0.00 34.83 31.52 1uir s MET 291 CO 0.10 -0.04 -0.17 0.08 0.00 0.00 0.00 175.02 174.99 1uir s VAL 292 N 0.46 1.85 0.16 10.11 1.01 -1.26 -4.22 120.40 128.51 1uir s VAL 292 Ca 0.53 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1uir s VAL 292 Cb -0.27 -1.71 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1uir s VAL 292 CO 0.31 0.47 1.12 -0.55 0.00 0.00 0.00 175.10 176.45 1uir s SER 293 N 1.37 7.22 0.11 3.32 0.15 -1.26 -4.90 113.70 119.71 1uir s SER 293 Ca 0.04 2.09 0.03 0.00 0.70 0.00 0.00 55.95 58.82 1uir s SER 293 Cb -0.13 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 1uir s SER 293 CO -0.12 -0.27 -0.09 0.42 1.20 0.00 0.00 173.24 174.39 1uir s THR 294 N -0.06 0.93 0.34 6.45 -4.23 -1.10 0.01 115.64 117.97 1uir s THR 294 Ca 0.51 -1.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1uir s THR 294 Cb -0.30 -1.57 0.28 0.00 1.34 0.00 0.00 72.50 72.25 1uir s THR 294 CO 0.34 -0.70 1.96 0.44 -0.54 0.00 0.00 174.62 176.12 1uir h ASP 295 N 3.19 0.75 -0.15 3.99 3.45 -1.96 0.15 116.42 125.84 1uir h ASP 295 Ca -0.36 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.09 1uir h ASP 295 Cb 1.18 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 1uir h ASP 295 CO 0.59 0.50 0.07 -0.61 -1.57 0.00 0.00 179.24 178.21 1uir h GLN 296 N 0.86 0.22 -2.65 3.56 5.75 -1.95 -3.37 115.11 117.52 1uir h GLN 296 Ca 0.32 -0.03 -0.60 0.00 -0.15 0.00 0.00 58.65 58.18 1uir h GLN 296 Cb 0.16 -0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.28 1uir h GLN 296 CO -0.10 0.28 -0.81 0.09 -2.65 0.00 0.00 178.83 175.63 1uir n ASN 297 N -4.90 0.98 -4.73 -0.69 3.02 -0.80 -3.28 115.26 104.88 1uir n ASN 297 Ca -0.05 -2.73 -0.42 0.00 -0.03 0.00 0.00 54.58 51.36 1uir n ASN 297 Cb 0.10 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 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 -0.60 4.30 0.46 3.52 0.04 0.47 -2.72 135.00 140.47 1uir s PRO 298 Ca 0.30 2.19 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 1uir s PRO 298 Cb 0.01 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 1uir s PRO 298 CO -0.19 -0.44 0.96 0.12 0.04 0.00 0.00 177.00 177.50 1uir s PHE 299 N 0.69 3.37 0.19 0.56 5.36 -1.26 -3.33 117.98 123.56 1uir s PHE 299 Ca 0.63 1.54 -0.13 0.00 -0.96 0.00 0.00 56.93 58.01 1uir s PHE 299 Cb -0.39 -2.82 0.01 0.00 -0.34 0.00 0.00 43.02 39.48 1uir s PHE 299 CO 0.35 -0.21 0.41 1.52 -1.46 0.00 0.00 175.22 175.83 1uir s TYR 300 N -2.36 0.19 -0.08 10.12 1.13 -0.42 -4.76 117.35 121.17 1uir s TYR 300 Ca 0.60 -0.54 -0.02 0.00 -1.41 0.00 0.00 57.07 55.70 1uir s TYR 300 Cb -0.09 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.90 1uir s TYR 300 CO 0.21 -0.85 0.02 0.08 -2.51 0.00 0.00 175.55 172.50 1uir s VAL 301 N -3.94 4.46 0.70 -3.49 1.01 -0.14 -0.95 120.40 118.06 1uir s VAL 301 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1uir s VAL 301 Cb 0.01 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1uir s VAL 301 CO 0.01 0.58 1.08 0.42 0.00 0.00 0.00 175.10 177.19 1uir s THR 302 N -0.93 3.45 0.59 3.92 -4.23 0.01 -1.09 115.64 117.36 1uir s THR 302 Ca 0.14 0.42 0.29 0.00 -1.18 0.00 0.00 61.69 61.37 1uir s THR 302 Cb -0.11 -3.46 0.36 0.00 1.34 0.00 0.00 72.50 70.63 1uir s THR 302 CO 0.04 -0.59 2.09 1.55 -0.54 0.00 0.00 174.62 177.17 1uir h PRO 303 N -0.63 0.00 -0.20 3.99 0.13 -1.98 0.63 132.00 133.95 1uir h PRO 303 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1uir h PRO 303 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1uir h PRO 303 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 1uir n GLU 304 N -3.79 1.60 -1.68 0.86 -0.58 -1.26 -4.37 120.64 111.43 1uir n GLU 304 Ca 0.02 -0.92 -0.03 0.00 -0.42 0.00 0.00 57.16 55.81 1uir n GLU 304 Cb 0.33 -1.30 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 1uir n GLU 304 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uir n GLY 305 N 1.00 0.39 3.92 0.62 0.00 0.22 -4.84 105.19 106.50 1uir n GLY 305 Ca 0.13 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.41 3.49 -0.27 1.61 2.02 -1.25 -4.40 118.70 116.50 1uir s GLU 306 Ca 0.00 -0.36 -0.26 0.00 0.02 0.00 0.00 54.97 54.37 1uir s GLU 306 Cb 0.00 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1uir s GLU 306 CO 0.00 0.56 0.92 0.00 0.02 0.00 0.00 175.26 176.76 1uir s ALA 307 N -1.57 3.61 0.24 5.21 0.00 -1.26 -0.81 121.76 127.18 1uir s ALA 307 Ca 0.37 -0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.33 1uir s ALA 307 Cb -0.13 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1uir s ALA 307 CO 0.27 -1.11 -0.18 1.03 0.00 0.00 0.00 175.76 175.77 1uir s ARG 308 N 3.10 1.52 -0.23 0.00 3.00 -0.12 -4.99 118.95 121.22 1uir s ARG 308 Ca 0.39 -1.68 -0.09 0.00 0.00 0.00 0.00 55.73 54.35 1uir s ARG 308 Cb -0.14 -1.51 0.10 0.00 0.00 0.00 0.00 34.95 33.40 1uir s ARG 308 CO 0.09 0.27 0.52 -1.14 0.00 0.00 0.00 175.30 175.05 1uir s GLN 309 N -3.50 0.45 0.09 3.54 0.74 -1.26 -1.30 119.66 118.42 1uir s GLN 309 Ca 0.26 1.16 -0.27 0.00 0.05 0.00 0.00 55.36 56.56 1uir s GLN 309 Cb -0.04 0.44 0.08 0.00 1.10 0.00 0.00 33.01 34.59 1uir s GLN 309 CO 0.11 -0.21 0.97 0.00 -0.55 0.00 0.00 175.29 175.61 1uir s ALA 310 N 2.44 -1.75 0.36 1.58 0.00 -1.21 -4.95 121.76 118.23 1uir s ALA 310 Ca -0.05 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1uir s ALA 310 Cb -0.11 0.55 -0.12 0.00 0.00 0.00 0.00 23.12 23.44 1uir s ALA 310 CO -0.15 -0.94 1.35 -0.35 0.00 0.00 0.00 175.76 175.67 1uir n PRO 311 N -0.40 2.28 0.00 0.00 -0.04 -1.20 -2.55 135.00 133.09 1uir n PRO 311 Ca -0.07 0.80 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 1uir n PRO 311 Cb 0.61 -2.43 0.74 0.00 -0.04 0.00 0.00 33.50 32.38 1uir n PRO 311 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44