#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8i s LYS 2 N 0.00 1.28 -0.23 3.17 -2.85 -1.26 -4.73 119.74 115.11 2k8i s LYS 2 Ca 0.00 -1.65 -0.29 0.00 -1.00 0.00 0.00 55.97 53.03 2k8i s LYS 2 Cb 0.00 -0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 35.34 2k8i s LYS 2 CO 0.00 -0.15 1.46 0.54 0.10 0.00 0.00 175.35 177.30 2k8i s VAL 3 N -3.58 3.92 0.04 1.79 0.11 -0.82 -4.95 120.40 116.92 2k8i s VAL 3 Ca 0.29 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.40 2k8i s VAL 3 Cb 0.06 -3.89 -0.00 0.00 -1.53 0.00 0.00 36.38 31.02 2k8i s VAL 3 CO 0.08 -0.32 0.04 0.00 -3.33 0.00 0.00 175.10 171.57 2k8i n ALA 4 N 7.81 0.01 -1.12 1.54 0.00 -1.26 -2.92 120.51 124.57 2k8i n ALA 4 Ca 0.17 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 2k8i n ALA 4 Cb 0.45 0.15 0.11 0.00 0.00 0.00 0.00 19.45 20.16 2k8i n ALA 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k8i s LYS 5 N -2.10 1.88 0.00 0.00 2.20 -1.26 -3.04 119.74 117.41 2k8i s LYS 5 Ca 0.03 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2k8i s LYS 5 Cb 0.00 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 2k8i s LYS 5 CO 0.02 -1.97 0.00 -0.40 -0.36 0.00 0.00 175.35 172.64 2k8i n ASP 6 N -3.44 -0.14 -4.49 1.43 5.68 0.90 -4.90 116.55 111.59 2k8i n ASP 6 Ca 0.11 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.97 2k8i n ASP 6 Cb 0.52 -1.99 -0.09 0.00 -1.14 0.00 0.00 41.12 38.42 2k8i n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2k8i s LEU 7 N 0.00 4.81 0.42 -2.12 1.43 -1.17 -3.25 118.68 118.80 2k8i s LEU 7 Ca 0.00 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 2k8i s LEU 7 Cb 0.00 -2.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 2k8i s LEU 7 CO 0.00 -0.57 1.08 0.52 0.23 0.00 0.00 176.35 177.61 2k8i n VAL 8 N 5.44 2.49 -3.80 -1.59 0.31 0.44 -2.44 118.33 119.19 2k8i n VAL 8 Ca -0.07 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 2k8i n VAL 8 Cb 0.48 -1.26 -0.14 0.00 -0.91 0.00 0.00 33.84 32.01 2k8i n VAL 8 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k8i s VAL 9 N -1.25 -0.03 -0.30 2.52 1.01 -0.75 -0.35 120.40 121.24 2k8i s VAL 9 Ca 0.63 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 2k8i s VAL 9 Cb -0.55 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 35.73 2k8i s VAL 9 CO 0.57 0.05 0.04 -0.44 0.00 0.00 0.00 175.10 175.31 2k8i s SER 10 N 0.64 4.97 0.19 3.32 0.01 -0.35 -3.16 113.70 119.33 2k8i s SER 10 Ca -0.05 -1.06 0.06 0.00 1.31 0.00 0.00 55.95 56.21 2k8i s SER 10 Cb -0.07 -1.78 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 2k8i s SER 10 CO -0.03 -0.25 -0.10 -1.48 0.41 0.00 0.00 173.24 171.79 2k8i s LEU 11 N 1.36 2.50 0.08 2.44 0.05 -0.76 -0.40 118.68 123.94 2k8i s LEU 11 Ca -0.02 -1.06 0.09 0.00 0.05 0.00 0.00 54.13 53.19 2k8i s LEU 11 Cb -0.19 -0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 43.41 2k8i s LEU 11 CO 0.00 -0.28 -0.21 0.00 -0.55 0.00 0.00 176.35 175.31 2k8i s ALA 12 N -3.15 2.52 0.17 1.48 0.00 0.13 0.13 121.76 123.03 2k8i s ALA 12 Ca 0.22 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.64 2k8i s ALA 12 Cb 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.60 2k8i s ALA 12 CO 0.05 0.57 0.66 1.52 0.00 0.00 0.00 175.76 178.56 2k8i s TYR 13 N -0.99 -0.44 -0.08 0.00 1.13 0.24 0.77 117.35 117.98 2k8i s TYR 13 Ca 0.15 0.19 -0.01 0.00 -1.41 0.00 0.00 57.07 55.99 2k8i s TYR 13 Cb -0.10 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.37 2k8i s TYR 13 CO 0.06 -0.89 -0.03 -1.14 -2.51 0.00 0.00 175.55 171.04 2k8i s GLN 14 N -3.70 0.91 -0.16 -3.49 0.74 -0.94 -0.07 119.66 112.94 2k8i s GLN 14 Ca 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 55.36 55.41 2k8i s GLN 14 Cb -0.02 -1.14 -0.01 0.00 1.10 0.00 0.00 33.01 32.94 2k8i s GLN 14 CO -0.08 -0.27 -0.10 0.54 -0.55 0.00 0.00 175.29 174.83 2k8i s VAL 15 N 1.78 3.10 0.30 1.34 0.11 -0.19 -1.50 120.40 125.34 2k8i s VAL 15 Ca 0.03 -0.62 -0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2k8i s VAL 15 Cb -0.13 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.36 2k8i s VAL 15 CO -0.05 0.49 0.34 0.00 -3.33 0.00 0.00 175.10 172.54 2k8i s ARG 16 N 0.79 1.67 0.60 1.54 1.70 -0.26 -1.07 118.95 123.92 2k8i s ARG 16 Ca -0.04 -1.76 0.07 0.00 -0.47 0.00 0.00 55.73 53.53 2k8i s ARG 16 Cb -0.15 0.37 0.09 0.00 -0.57 0.00 0.00 34.95 34.69 2k8i s ARG 16 CO 0.01 -0.64 0.83 0.95 -1.08 0.00 0.00 175.30 175.37 2k8i s THR 17 N -3.52 2.18 0.38 4.99 -4.23 -0.60 0.46 115.64 115.30 2k8i s THR 17 Ca 0.35 -0.90 0.37 0.00 -1.18 0.00 0.00 61.69 60.33 2k8i s THR 17 Cb 0.02 -2.27 0.40 0.00 1.34 0.00 0.00 72.50 71.98 2k8i s THR 17 CO 0.20 0.00 2.16 -0.33 -0.54 0.00 0.00 174.62 176.11 2k8i h GLU 18 N 0.02 0.00 0.00 3.99 5.08 -1.91 -0.41 114.58 121.35 2k8i h GLU 18 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2k8i h GLU 18 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k8i h GLU 18 CO 0.41 0.02 0.00 0.22 -1.00 0.00 0.00 179.01 178.66 2k8i h ASP 19 N 0.00 0.00 0.00 1.42 3.58 -1.93 -3.47 116.42 116.02 2k8i h ASP 19 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k8i h ASP 19 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2k8i h ASP 19 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2k8i n GLY 20 N 0.97 0.81 3.62 -0.78 0.00 -0.16 -5.05 105.19 104.60 2k8i n GLY 20 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2k8i n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k8i s VAL 21 N -2.00 4.14 -0.10 1.61 1.01 -1.26 -4.71 120.40 119.10 2k8i s VAL 21 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 2k8i s VAL 21 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2k8i s VAL 21 CO 0.00 -0.66 1.57 -0.22 0.00 0.00 0.00 175.10 175.79 2k8i s LEU 22 N 4.56 4.24 -0.20 3.92 2.96 -1.26 -1.55 118.68 131.35 2k8i s LEU 22 Ca 0.54 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 2k8i s LEU 22 Cb -0.13 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.82 2k8i s LEU 22 CO 0.26 -0.93 0.01 1.33 -1.32 0.00 0.00 176.35 175.70 2k8i n VAL 23 N 5.56 1.59 -3.54 1.68 0.24 -0.23 -4.97 118.33 118.66 2k8i n VAL 23 Ca 0.17 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.34 61.74 2k8i n VAL 23 Cb 0.43 -1.46 -0.03 0.00 -1.47 0.00 0.00 33.84 31.31 2k8i n VAL 23 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k8i s ASP 24 N -6.63 -0.38 -0.26 -1.34 2.15 -1.06 -5.05 116.67 104.09 2k8i s ASP 24 Ca -0.29 -0.18 -0.18 0.00 0.43 0.00 0.00 52.55 52.33 2k8i s ASP 24 Cb 0.08 0.53 0.07 0.00 -0.30 0.00 0.00 42.92 43.31 2k8i s ASP 24 CO 0.67 -0.91 0.67 -0.70 -0.17 0.00 0.00 175.17 174.73 2k8i s GLU 25 N -3.78 0.72 -0.33 4.34 2.12 -1.26 -1.02 118.70 119.48 2k8i s GLU 25 Ca 0.02 1.10 -0.00 0.00 0.36 0.00 0.00 54.97 56.45 2k8i s GLU 25 Cb 0.00 0.22 0.08 0.00 0.26 0.00 0.00 34.13 34.69 2k8i s GLU 25 CO -0.12 -0.13 0.05 -1.12 -0.54 0.00 0.00 175.26 173.40 2k8i s SER 26 N 1.17 4.90 1.02 -1.70 0.01 0.89 -5.00 113.70 114.99 2k8i s SER 26 Ca -0.06 -1.69 -0.12 0.00 1.31 0.00 0.00 55.95 55.38 2k8i s SER 26 Cb -0.05 -1.70 0.20 0.00 0.21 0.00 0.00 66.02 64.68 2k8i s SER 26 CO -0.12 -0.35 1.08 -2.16 0.41 0.00 0.00 173.24 172.09 2k8i s PRO 27 N 1.12 0.24 0.53 12.44 0.04 -1.18 -0.59 135.00 147.60 2k8i s PRO 27 Ca 0.01 0.69 0.34 0.00 0.04 0.00 0.00 61.00 62.09 2k8i s PRO 27 Cb -0.20 -1.70 1.52 0.00 0.04 0.00 0.00 34.50 34.15 2k8i s PRO 27 CO -0.04 -2.90 2.02 -0.39 0.04 0.00 0.00 177.00 175.73 2k8i h VAL 28 N -2.02 0.00 -0.00 -0.36 -1.51 -1.94 -2.63 116.25 107.78 2k8i h VAL 28 Ca -0.55 -0.37 -0.26 0.00 -1.23 0.00 0.00 66.70 64.29 2k8i h VAL 28 Cb 1.32 1.32 0.02 0.00 -2.13 0.00 0.00 31.29 31.82 2k8i h VAL 28 CO 0.55 0.00 -1.01 0.77 -1.23 0.00 0.00 177.57 176.64 2k8i h SER 29 N 0.00 0.83 -3.28 4.19 4.64 -2.02 -3.42 113.55 114.49 2k8i h SER 29 Ca 0.00 -0.66 -0.51 0.00 -0.47 0.00 0.00 61.79 60.16 2k8i h SER 29 Cb 0.39 -0.25 -0.39 0.00 -0.31 0.00 0.00 62.40 61.83 2k8i h SER 29 CO 0.00 1.46 -0.77 0.00 -0.87 0.00 0.00 176.83 176.65 2k8i s ALA 30 N -3.32 1.02 0.89 5.18 0.00 -0.99 -5.14 121.76 119.40 2k8i s ALA 30 Ca -0.09 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2k8i s ALA 30 Cb 0.07 -1.09 0.13 0.00 0.00 0.00 0.00 23.12 22.23 2k8i s ALA 30 CO 0.91 -0.99 1.14 -2.14 0.00 0.00 0.00 175.76 174.68 2k8i s PRO 31 N 1.85 1.28 -0.04 0.00 0.02 -1.23 -3.12 135.00 133.75 2k8i s PRO 31 Ca 0.00 0.29 -0.23 0.00 0.02 0.00 0.00 61.00 61.08 2k8i s PRO 31 Cb -0.16 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 2k8i s PRO 31 CO -0.07 -2.10 0.70 -1.17 -0.33 0.00 0.00 177.00 174.02 2k8i s LEU 32 N -5.97 4.35 -0.17 -5.54 0.20 0.35 -4.90 118.68 107.00 2k8i s LEU 32 Ca 0.63 1.23 0.01 0.00 0.69 0.00 0.00 54.13 56.69 2k8i s LEU 32 Cb -0.14 -3.08 0.03 0.00 -0.43 0.00 0.00 46.19 42.56 2k8i s LEU 32 CO 0.53 -0.06 -0.14 -1.81 -0.29 0.00 0.00 176.35 174.58 2k8i s ASP 33 N 0.51 3.00 0.39 3.68 1.01 -1.26 -1.83 116.67 122.16 2k8i s ASP 33 Ca 0.37 -0.65 -0.15 0.00 0.71 0.00 0.00 52.55 52.83 2k8i s ASP 33 Cb -0.18 -1.25 0.06 0.00 1.01 0.00 0.00 42.92 42.55 2k8i s ASP 33 CO 0.19 -0.07 0.78 -1.22 0.21 0.00 0.00 175.17 175.06 2k8i n TYR 34 N 4.71 -2.33 -3.76 4.23 4.01 -1.19 -4.89 117.16 117.94 2k8i n TYR 34 Ca -0.17 -1.82 -0.37 0.00 -0.16 0.00 0.00 57.90 55.38 2k8i n TYR 34 Cb 0.49 0.91 -0.13 0.00 -0.31 0.00 0.00 39.34 40.30 2k8i n TYR 34 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2k8i s LEU 35 N 0.00 3.77 0.08 7.72 2.96 -1.26 -1.82 118.68 130.13 2k8i s LEU 35 Ca 0.16 -0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 2k8i s LEU 35 Cb -0.05 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.69 2k8i s LEU 35 CO 0.12 -0.16 1.20 -2.28 -1.32 0.00 0.00 176.35 173.90 2k8i s HIS 36 N 1.52 3.44 0.00 5.38 5.65 -1.02 -3.42 115.29 126.84 2k8i s HIS 36 Ca 0.03 1.32 0.00 0.00 0.25 0.00 0.00 55.06 56.67 2k8i s HIS 36 Cb -0.17 -3.42 0.00 0.00 -1.18 0.00 0.00 32.58 27.81 2k8i s HIS 36 CO 0.03 -1.26 0.00 0.41 -0.65 0.00 0.00 174.74 173.27 2k8i n GLY 37 N 3.05 1.06 0.00 1.59 0.00 -1.26 -0.07 105.19 109.56 2k8i n GLY 37 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k8i n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k8i n HIS 38 N -1.05 0.00 -0.06 1.61 8.25 -1.22 -4.61 115.22 118.14 2k8i n HIS 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k8i n HIS 38 Cb 0.00 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2k8i n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k8i n GLY 39 N 0.00 0.32 0.93 -1.41 0.00 -1.26 -5.02 105.19 98.76 2k8i n GLY 39 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 2k8i n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k8i n SER 40 N 0.00 0.25 -0.89 1.61 2.88 -1.24 -4.41 113.62 111.82 2k8i n SER 40 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2k8i n SER 40 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2k8i n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k8i n LEU 41 N -3.14 0.00 -4.28 2.46 -0.00 -1.26 -4.82 117.00 105.96 2k8i n LEU 41 Ca -0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.54 2k8i n LEU 41 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.90 2k8i n LEU 41 CO 0.00 0.00 -0.31 2.30 -0.00 0.00 0.00 177.39 179.38 2k8i n ILE 42 N 0.00 1.02 -0.19 1.47 -5.35 -1.26 -4.80 119.36 110.25 2k8i n ILE 42 Ca 0.00 -0.49 -0.09 0.00 -0.27 0.00 0.00 62.75 61.90 2k8i n ILE 42 Cb 0.00 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 37.94 2k8i n ILE 42 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2k8i h SER 43 N 0.51 1.01 -0.61 7.28 0.87 -1.88 -2.20 113.55 118.53 2k8i h SER 43 Ca -0.34 -0.30 -0.09 0.00 -1.23 0.00 0.00 61.79 59.83 2k8i h SER 43 Cb 1.43 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 2k8i h SER 43 CO 0.49 1.08 0.05 1.23 -0.53 0.00 0.00 176.83 179.16 2k8i h GLY 44 N 0.97 1.14 0.30 5.77 0.00 -1.01 -1.85 103.07 108.39 2k8i h GLY 44 Ca 0.16 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2k8i h GLY 44 CO 0.04 0.73 -0.02 -2.00 0.00 0.00 0.00 176.54 175.28 2k8i h LEU 45 N 0.98 0.02 -0.70 3.11 5.85 -1.74 -2.61 115.31 120.22 2k8i h LEU 45 Ca 0.19 -0.72 0.15 0.00 0.84 0.00 0.00 57.88 58.34 2k8i h LEU 45 Cb 0.49 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 2k8i h LEU 45 CO 0.02 0.73 0.06 -0.33 -0.34 0.00 0.00 178.44 178.59 2k8i h GLU 46 N -0.69 0.16 -0.18 1.25 5.08 -1.36 0.26 114.58 119.09 2k8i h GLU 46 Ca -0.00 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2k8i h GLU 46 Cb 0.74 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2k8i h GLU 46 CO 0.00 0.10 -0.24 1.15 -1.00 0.00 0.00 179.01 179.03 2k8i h THR 47 N 0.16 1.24 -0.30 1.13 2.02 -1.37 -0.54 112.91 115.26 2k8i h THR 47 Ca 0.38 -1.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 2k8i h THR 47 Cb 0.65 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2k8i h THR 47 CO -0.56 0.35 -0.29 0.00 0.37 0.00 0.00 175.52 175.40 2k8i h ALA 48 N 1.47 0.44 -0.55 6.16 0.00 -0.46 -3.02 119.26 123.30 2k8i h ALA 48 Ca 0.05 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2k8i h ALA 48 Cb 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2k8i h ALA 48 CO 0.04 0.45 0.31 -0.07 0.00 0.00 0.00 179.25 179.98 2k8i h LEU 49 N 0.47 0.47 -9.38 0.00 4.07 -0.35 -3.45 115.31 107.15 2k8i h LEU 49 Ca 0.05 0.02 -0.58 0.00 0.08 0.00 0.00 57.88 57.45 2k8i h LEU 49 Cb 0.86 -0.08 0.19 0.00 1.08 0.00 0.00 40.66 42.70 2k8i h LEU 49 CO 0.07 0.33 -0.74 -0.62 -1.08 0.00 0.00 178.44 176.40 2k8i n GLU 50 N -4.82 0.24 0.00 1.13 1.02 -0.23 -1.85 120.64 116.13 2k8i n GLU 50 Ca 0.05 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2k8i n GLU 50 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2k8i n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8i n GLY 51 N 2.09 2.70 3.95 0.62 0.00 -1.15 -5.00 105.19 108.41 2k8i n GLY 51 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2k8i n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k8i s HIS 52 N -0.61 1.65 0.24 1.61 3.76 -0.77 -4.78 115.29 116.39 2k8i s HIS 52 Ca 0.00 0.11 0.05 0.00 -0.15 0.00 0.00 55.06 55.07 2k8i s HIS 52 Cb 0.00 -3.67 -0.05 0.00 1.11 0.00 0.00 32.58 29.97 2k8i s HIS 52 CO 0.00 -2.26 -0.04 -1.21 -0.85 0.00 0.00 174.74 170.38 2k8i s GLU 53 N -5.59 1.40 0.38 1.40 2.02 -1.26 -1.94 118.70 115.11 2k8i s GLU 53 Ca 0.71 -1.70 -0.26 0.00 0.02 0.00 0.00 54.97 53.74 2k8i s GLU 53 Cb -0.05 -0.86 -0.12 0.00 0.10 0.00 0.00 34.13 33.20 2k8i s GLU 53 CO 0.50 -0.02 1.02 1.33 0.02 0.00 0.00 175.26 178.11 2k8i n VAL 54 N -0.47 2.25 0.00 2.63 0.24 -1.26 -1.90 118.33 119.82 2k8i n VAL 54 Ca -0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2k8i n VAL 54 Cb 0.63 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 2k8i n VAL 54 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8i n GLY 55 N 1.18 1.48 3.72 7.63 0.00 0.10 -5.02 105.19 114.29 2k8i n GLY 55 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2k8i n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k8i s ASP 56 N -1.97 6.86 -0.03 1.61 1.01 -0.80 -4.83 116.67 118.52 2k8i s ASP 56 Ca 0.00 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.60 2k8i s ASP 56 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.36 2k8i s ASP 56 CO 0.00 -0.60 0.00 -0.75 0.21 0.00 0.00 175.17 174.03 2k8i s LYS 57 N 0.72 0.27 0.02 8.23 2.36 -1.26 -2.39 119.74 127.69 2k8i s LYS 57 Ca 0.62 0.07 -0.28 0.00 -2.55 0.00 0.00 55.97 53.83 2k8i s LYS 57 Cb -0.36 -0.45 0.10 0.00 -1.05 0.00 0.00 37.83 36.06 2k8i s LYS 57 CO 0.33 -0.13 0.91 -0.59 1.55 0.00 0.00 175.35 177.42 2k8i s PHE 58 N 0.97 -0.30 0.25 4.03 -0.71 -0.97 -5.01 117.98 116.25 2k8i s PHE 58 Ca -0.10 0.13 -0.22 0.00 -1.04 0.00 0.00 56.93 55.70 2k8i s PHE 58 Cb -0.13 0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 42.15 2k8i s PHE 58 CO -0.02 -0.59 0.80 -0.51 -1.34 0.00 0.00 175.22 173.57 2k8i s ASP 59 N -2.57 7.17 0.01 1.98 1.11 -1.26 -1.49 116.67 121.62 2k8i s ASP 59 Ca 0.07 1.57 0.02 0.00 0.18 0.00 0.00 52.55 54.39 2k8i s ASP 59 Cb -0.01 -2.48 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 2k8i s ASP 59 CO -0.07 0.01 -0.08 -0.69 1.18 0.00 0.00 175.17 175.53 2k8i s VAL 60 N -1.52 0.61 -0.16 -1.27 1.01 0.14 -4.97 120.40 114.24 2k8i s VAL 60 Ca 0.45 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 2k8i s VAL 60 Cb -0.18 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.70 2k8i s VAL 60 CO 0.22 0.06 0.01 0.00 0.00 0.00 0.00 175.10 175.39 2k8i s ALA 61 N -0.43 1.00 -0.03 5.51 0.00 -1.26 -0.11 121.76 126.44 2k8i s ALA 61 Ca 0.01 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2k8i s ALA 61 Cb -0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 2k8i s ALA 61 CO -0.00 -0.95 -0.25 0.08 0.00 0.00 0.00 175.76 174.65 2k8i s VAL 62 N 1.85 1.97 0.56 0.00 1.01 -0.73 -4.95 120.40 120.11 2k8i s VAL 62 Ca 0.01 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 2k8i s VAL 62 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2k8i s VAL 62 CO -0.07 0.55 1.14 -0.83 0.00 0.00 0.00 175.10 175.90 2k8i s GLY 63 N -0.42 2.63 0.51 4.51 0.00 -1.26 -1.78 107.32 111.51 2k8i s GLY 63 Ca 0.05 0.84 0.34 0.00 0.00 0.00 0.00 44.72 45.95 2k8i s GLY 63 CO 0.01 1.21 1.78 0.00 0.00 0.00 0.00 173.10 176.09 2k8i h ALA 64 N 1.07 3.00 0.00 3.20 0.00 -1.59 -0.24 119.26 124.68 2k8i h ALA 64 Ca -0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2k8i h ALA 64 Cb 1.27 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k8i h ALA 64 CO 0.56 -1.37 -0.03 -2.95 0.00 0.00 0.00 179.25 175.46 2k8i h ASN 65 N 0.07 0.00 -0.04 0.00 7.08 -1.84 -1.67 115.58 119.17 2k8i h ASN 65 Ca 0.60 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.82 2k8i h ASN 65 Cb 2.23 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.47 2k8i h ASN 65 CO -0.08 0.03 0.00 0.47 -2.08 0.00 0.00 177.43 175.77 2k8i n ASP 66 N -3.21 1.66 0.00 6.14 8.00 -0.14 -4.99 116.55 124.01 2k8i n ASP 66 Ca -0.01 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.03 2k8i n ASP 66 Cb 0.20 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2k8i n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k8i n ALA 67 N 0.06 0.00 -1.69 2.24 0.00 -0.63 -0.31 120.51 120.18 2k8i n ALA 67 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 2k8i n ALA 67 Cb 0.17 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.64 2k8i n ALA 67 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2k8i s TYR 68 N 1.02 3.21 0.00 0.00 2.02 -1.26 -4.29 117.35 118.05 2k8i s TYR 68 Ca 0.00 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 2k8i s TYR 68 Cb 0.00 -2.88 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 2k8i s TYR 68 CO 0.00 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.42 2k8i n GLY 69 N -1.73 1.26 3.67 0.71 0.00 -1.26 -4.30 105.19 103.55 2k8i n GLY 69 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 2k8i n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k8i n GLN 70 N -1.68 2.52 -1.65 1.61 1.13 -1.26 -4.35 117.38 113.69 2k8i n GLN 70 Ca 0.00 0.92 -0.35 0.00 -1.94 0.00 0.00 57.00 55.63 2k8i n GLN 70 Cb 0.00 -2.82 0.07 0.00 0.11 0.00 0.00 30.24 27.60 2k8i n GLN 70 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2k8i s TYR 71 N 4.10 2.18 -0.25 1.08 1.13 -1.26 -4.86 117.35 119.46 2k8i s TYR 71 Ca 0.90 1.56 -0.29 0.00 -1.41 0.00 0.00 57.07 57.83 2k8i s TYR 71 Cb -0.57 -3.48 -0.01 0.00 -1.10 0.00 0.00 41.96 36.80 2k8i s TYR 71 CO 0.46 -2.49 1.35 0.34 -2.51 0.00 0.00 175.55 172.71 2k8i s ASP 72 N -1.87 6.68 0.17 -0.18 -1.08 -1.26 -4.89 116.67 114.24 2k8i s ASP 72 Ca 0.76 1.39 0.23 0.00 -0.52 0.00 0.00 52.55 54.41 2k8i s ASP 72 Cb -0.30 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.52 2k8i s ASP 72 CO 0.41 -1.04 1.70 1.21 0.52 0.00 0.00 175.17 177.97 2k8i n GLU 73 N 7.23 0.15 0.00 4.34 2.13 -1.26 -3.43 120.64 129.80 2k8i n GLU 73 Ca 0.15 0.30 0.05 0.00 0.66 0.00 0.00 57.16 58.32 2k8i n GLU 73 Cb 0.46 -1.75 0.26 0.00 0.27 0.00 0.00 31.44 30.69 2k8i n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2k8i n ASN 74 N -2.02 0.00 -0.00 4.31 3.02 -1.26 -0.50 115.26 118.80 2k8i n ASN 74 Ca 0.04 -0.02 0.04 0.00 -0.03 0.00 0.00 54.58 54.61 2k8i n ASN 74 Cb 0.28 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2k8i n ASN 74 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2k8i n LEU 75 N -1.18 0.35 -4.93 3.41 4.77 -1.22 -5.00 117.00 113.20 2k8i n LEU 75 Ca 0.06 -0.48 -0.27 0.00 -0.03 0.00 0.00 56.01 55.29 2k8i n LEU 75 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2k8i n LEU 75 CO 0.07 0.09 -0.12 0.54 -1.33 0.00 0.00 177.39 176.64 2k8i s VAL 76 N -1.77 5.27 0.27 4.08 0.11 0.34 -1.93 120.40 126.78 2k8i s VAL 76 Ca 0.03 -0.67 -0.21 0.00 -2.93 0.00 0.00 61.98 58.20 2k8i s VAL 76 Cb 0.06 -3.69 0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2k8i s VAL 76 CO 0.32 -0.05 0.79 0.00 -3.33 0.00 0.00 175.10 172.83 2k8i s GLN 77 N -3.10 1.72 -0.33 1.54 0.00 -1.14 -4.96 119.66 113.41 2k8i s GLN 77 Ca 0.34 -0.99 -0.00 0.00 -0.00 0.00 0.00 55.36 54.71 2k8i s GLN 77 Cb -0.11 0.56 0.08 0.00 0.00 0.00 0.00 33.01 33.54 2k8i s GLN 77 CO 0.28 -0.79 0.04 1.03 0.00 0.00 0.00 175.29 175.85 2k8i s ARG 78 N -3.44 2.09 -0.18 9.60 3.00 -1.26 -2.99 118.95 125.77 2k8i s ARG 78 Ca 0.12 -1.55 -0.14 0.00 0.00 0.00 0.00 55.73 54.17 2k8i s ARG 78 Cb -0.05 -3.24 -0.05 0.00 0.00 0.00 0.00 34.95 31.61 2k8i s ARG 78 CO 0.07 -0.79 0.30 0.08 0.00 0.00 0.00 175.30 174.95 2k8i s VAL 79 N 1.13 5.29 0.33 3.52 1.01 -0.41 -4.83 120.40 126.43 2k8i s VAL 79 Ca 0.01 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 2k8i s VAL 79 Cb -0.20 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 2k8i s VAL 79 CO -0.04 0.36 1.56 -2.84 0.00 0.00 0.00 175.10 174.13 2k8i s PRO 80 N 0.70 4.11 0.59 2.72 0.02 -1.26 -1.21 135.00 140.66 2k8i s PRO 80 Ca 0.16 2.59 0.29 0.00 0.02 0.00 0.00 61.00 64.06 2k8i s PRO 80 Cb -0.13 -3.00 1.63 0.00 0.02 0.00 0.00 34.50 33.02 2k8i s PRO 80 CO 0.05 -0.60 2.07 0.87 -0.33 0.00 0.00 177.00 179.05 2k8i h LYS 81 N 4.10 0.00 -0.57 5.54 1.79 -0.82 -0.69 116.57 125.91 2k8i h LYS 81 Ca -0.49 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.96 2k8i h LYS 81 Cb 1.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 2k8i h LYS 81 CO 0.73 0.00 0.25 0.22 -1.08 0.00 0.00 179.45 179.57 2k8i h ASP 82 N 0.00 0.73 -0.65 0.86 3.58 -1.90 -2.64 116.42 116.39 2k8i h ASP 82 Ca 0.10 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k8i h ASP 82 Cb 0.59 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2k8i h ASP 82 CO -0.00 0.63 0.39 0.58 -2.88 0.00 0.00 179.24 177.96 2k8i h VAL 83 N 0.80 1.19 -0.53 2.25 2.07 -1.48 -2.95 116.25 117.60 2k8i h VAL 83 Ca 0.20 -0.43 -0.36 0.00 0.82 0.00 0.00 66.70 66.93 2k8i h VAL 83 Cb 0.12 0.30 -0.15 0.00 -1.52 0.00 0.00 31.29 30.03 2k8i h VAL 83 CO -0.02 0.20 0.46 0.49 0.02 0.00 0.00 177.57 178.71 2k8i n PHE 84 N -4.58 1.68 -0.28 1.57 3.72 -1.00 -4.56 117.46 114.02 2k8i n PHE 84 Ca 0.05 -2.06 0.16 0.00 -0.05 0.00 0.00 57.45 55.56 2k8i n PHE 84 Cb 0.06 -1.01 0.44 0.00 -0.94 0.00 0.00 39.48 38.03 2k8i n PHE 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k8i h MET 85 N 1.55 0.53 -0.57 -1.08 -0.00 -1.58 -1.67 114.93 112.11 2k8i h MET 85 Ca 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.99 2k8i h MET 85 Cb 0.90 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 2k8i h MET 85 CO 0.83 0.35 0.00 0.41 -0.00 0.00 0.00 176.91 178.50 2k8i n GLY 86 N -1.46 1.65 3.83 -3.00 0.00 -1.26 -4.95 105.19 100.00 2k8i n GLY 86 Ca 0.20 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2k8i n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8i s VAL 87 N -1.66 4.13 0.00 1.61 0.11 -0.63 -5.03 120.40 118.93 2k8i s VAL 87 Ca 0.32 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 2k8i s VAL 87 Cb 0.20 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2k8i s VAL 87 CO 0.17 -0.90 0.40 -0.67 -3.33 0.00 0.00 175.10 170.77 2k8i n ASP 88 N -3.03 0.00 -3.40 3.54 2.03 -1.26 -4.90 116.55 109.53 2k8i n ASP 88 Ca 0.07 0.48 -0.11 0.00 0.52 0.00 0.00 54.79 55.75 2k8i n ASP 88 Cb 0.54 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 40.64 2k8i n ASP 88 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k8i s GLU 89 N -1.19 0.31 -0.03 -0.67 2.02 -1.26 -5.12 118.70 112.75 2k8i s GLU 89 Ca 0.00 0.48 -0.30 0.00 0.02 0.00 0.00 54.97 55.17 2k8i s GLU 89 Cb 0.00 -0.62 -0.07 0.00 0.10 0.00 0.00 34.13 33.54 2k8i s GLU 89 CO 0.00 -0.63 1.77 -0.51 0.02 0.00 0.00 175.26 175.92 2k8i s LEU 90 N 2.49 4.32 0.16 1.80 1.43 -1.26 -4.96 118.68 122.67 2k8i s LEU 90 Ca 0.11 2.35 -0.08 0.00 -1.03 0.00 0.00 54.13 55.47 2k8i s LEU 90 Cb -0.15 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 2k8i s LEU 90 CO -0.15 -1.01 0.26 -1.58 0.23 0.00 0.00 176.35 174.11 2k8i s GLN 91 N 4.27 1.12 0.05 1.70 0.74 -1.26 -5.04 119.66 121.24 2k8i s GLN 91 Ca 0.79 -1.18 -0.29 0.00 0.05 0.00 0.00 55.36 54.74 2k8i s GLN 91 Cb -0.36 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.07 2k8i s GLN 91 CO 0.34 -0.40 0.92 0.08 -0.55 0.00 0.00 175.29 175.67 2k8i s VAL 92 N -3.97 4.70 0.00 1.34 1.01 -1.26 -3.33 120.40 118.90 2k8i s VAL 92 Ca 0.17 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.10 2k8i s VAL 92 Cb 0.04 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2k8i s VAL 92 CO -0.01 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2k8i n GLY 93 N 2.56 0.59 3.83 4.51 0.00 0.17 -4.99 105.19 111.86 2k8i n GLY 93 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2k8i n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k8i s MET 94 N -1.00 4.02 -0.07 1.61 -1.94 -1.21 -4.81 119.30 115.90 2k8i s MET 94 Ca 0.00 0.53 0.05 0.00 -1.71 0.00 0.00 55.69 54.55 2k8i s MET 94 Cb 0.00 -3.12 -0.01 0.00 2.01 0.00 0.00 34.83 33.70 2k8i s MET 94 CO 0.00 0.60 -0.22 1.03 -0.01 0.00 0.00 175.02 176.43 2k8i s ARG 95 N -1.42 2.73 0.20 2.03 0.52 -1.26 -0.64 118.95 121.12 2k8i s ARG 95 Ca 0.30 -0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 54.45 2k8i s ARG 95 Cb -0.17 -2.28 0.05 0.00 0.52 0.00 0.00 34.95 33.07 2k8i s ARG 95 CO 0.17 0.37 0.76 -0.59 0.02 0.00 0.00 175.30 176.03 2k8i s PHE 96 N -0.11 -0.26 -0.00 -0.53 -0.12 -1.03 -5.03 117.98 110.89 2k8i s PHE 96 Ca -0.04 -0.09 -0.17 0.00 -0.05 0.00 0.00 56.93 56.58 2k8i s PHE 96 Cb -0.14 0.65 -0.06 0.00 -0.63 0.00 0.00 43.02 42.84 2k8i s PHE 96 CO 0.04 -1.01 0.49 -1.17 -0.05 0.00 0.00 175.22 173.52 2k8i s LEU 97 N -2.85 4.44 -0.03 -1.99 2.96 -1.26 -1.66 118.68 118.29 2k8i s LEU 97 Ca 0.09 1.04 0.06 0.00 -0.22 0.00 0.00 54.13 55.10 2k8i s LEU 97 Cb -0.04 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 2k8i s LEU 97 CO 0.00 0.22 -0.21 0.00 -1.32 0.00 0.00 176.35 175.05 2k8i s ALA 98 N -0.63 1.75 0.31 5.97 0.00 -0.23 -4.95 121.76 123.99 2k8i s ALA 98 Ca 0.27 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 2k8i s ALA 98 Cb -0.17 -0.49 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 2k8i s ALA 98 CO 0.15 0.39 0.83 -1.21 0.00 0.00 0.00 175.76 175.92 2k8i s GLU 99 N -0.31 4.27 0.20 0.00 2.02 -1.26 0.15 118.70 123.77 2k8i s GLU 99 Ca 0.03 0.99 0.01 0.00 0.02 0.00 0.00 54.97 56.02 2k8i s GLU 99 Cb -0.10 -2.61 -0.00 0.00 0.10 0.00 0.00 34.13 31.52 2k8i s GLU 99 CO 0.01 0.22 0.24 0.25 0.02 0.00 0.00 175.26 176.00 2k8i n THR 100 N 0.14 0.00 0.28 3.63 -2.24 -0.73 -4.85 114.28 110.52 2k8i n THR 100 Ca 0.02 -1.15 0.15 0.00 -2.27 0.00 0.00 64.05 60.80 2k8i n THR 100 Cb 0.52 0.65 0.82 0.00 -2.10 0.00 0.00 70.33 70.22 2k8i n THR 100 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k8i h ASP 101 N 1.15 0.00 -0.40 3.42 5.19 -2.01 -2.77 116.42 121.00 2k8i h ASP 101 Ca -0.15 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.10 2k8i h ASP 101 Cb 0.69 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.10 2k8i h ASP 101 CO 0.21 0.07 0.02 0.00 -3.12 0.00 0.00 179.24 176.42 2k8i n GLN 102 N -3.51 2.23 0.00 3.56 10.64 -1.26 -5.06 117.38 123.97 2k8i n GLN 102 Ca -0.02 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.08 2k8i n GLN 102 Cb 0.20 -1.87 0.00 0.00 -0.86 0.00 0.00 30.24 27.71 2k8i n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k8i n GLY 103 N -0.93 -2.94 3.71 2.61 0.00 -1.05 -4.89 105.19 101.71 2k8i n GLY 103 Ca 0.33 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 2k8i n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k8i n PRO 104 N -0.61 2.47 -3.89 1.61 -0.02 -1.26 -1.77 135.00 131.53 2k8i n PRO 104 Ca 0.00 0.88 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 2k8i n PRO 104 Cb 0.00 -2.64 -0.17 0.00 -0.02 0.00 0.00 33.50 30.67 2k8i n PRO 104 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k8i s VAL 105 N 0.32 1.05 -0.40 -1.45 1.01 0.40 -4.91 120.40 116.42 2k8i s VAL 105 Ca 0.69 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2k8i s VAL 105 Cb -0.56 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 34.64 2k8i s VAL 105 CO 0.44 0.18 1.12 -2.84 0.00 0.00 0.00 175.10 174.01 2k8i s PRO 106 N 1.67 3.87 0.51 2.72 0.02 -1.26 -1.07 135.00 141.46 2k8i s PRO 106 Ca 0.02 0.82 0.02 0.00 0.02 0.00 0.00 61.00 61.87 2k8i s PRO 106 Cb -0.15 -3.84 -0.01 0.00 0.02 0.00 0.00 34.50 30.53 2k8i s PRO 106 CO -0.08 -1.17 0.07 0.14 -0.33 0.00 0.00 177.00 175.63 2k8i s VAL 107 N 4.13 1.27 -0.04 3.83 -7.23 -0.66 -4.96 120.40 116.74 2k8i s VAL 107 Ca 0.47 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2k8i s VAL 107 Cb -0.10 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2k8i s VAL 107 CO 0.24 0.00 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.29 2k8i s GLU 108 N -3.94 0.79 0.09 4.82 2.12 -1.26 -2.48 118.70 118.84 2k8i s GLU 108 Ca 0.11 -0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.02 2k8i s GLU 108 Cb 0.01 -0.79 -0.07 0.00 0.26 0.00 0.00 34.13 33.54 2k8i s GLU 108 CO 0.06 -0.06 1.28 0.42 -0.54 0.00 0.00 175.26 176.43 2k8i s ILE 109 N 0.79 3.68 -1.04 -3.70 1.01 0.19 -3.51 121.20 118.62 2k8i s ILE 109 Ca -0.11 1.22 0.09 0.00 0.00 0.00 0.00 60.65 61.86 2k8i s ILE 109 Cb -0.13 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.60 2k8i s ILE 109 CO 0.00 0.10 0.72 0.35 0.00 0.00 0.00 174.94 176.12 2k8i n THR 110 N 3.81 0.00 -3.62 2.92 -2.24 0.11 0.42 114.28 115.69 2k8i n THR 110 Ca 0.10 -0.46 -0.05 0.00 -2.27 0.00 0.00 64.05 61.36 2k8i n THR 110 Cb 0.44 1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 2k8i n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k8i s ALA 111 N -0.98 -2.05 -0.21 6.98 0.00 -1.21 -4.87 121.76 119.41 2k8i s ALA 111 Ca 0.10 1.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.80 2k8i s ALA 111 Cb 0.08 -1.22 0.07 0.00 0.00 0.00 0.00 23.12 22.05 2k8i s ALA 111 CO 0.16 -0.27 0.10 0.08 0.00 0.00 0.00 175.76 175.83 2k8i s VAL 112 N -1.08 0.02 0.00 0.00 1.01 -1.26 -0.52 120.40 118.57 2k8i s VAL 112 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2k8i s VAL 112 Cb -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2k8i s VAL 112 CO -0.05 -0.41 0.00 -0.62 0.00 0.00 0.00 175.10 174.02 2k8i n GLU 113 N 5.23 2.06 0.07 2.72 -0.58 0.89 -4.98 120.64 126.04 2k8i n GLU 113 Ca -0.07 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.56 2k8i n GLU 113 Cb 0.47 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.26 2k8i n GLU 113 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2k8i h ASP 114 N 0.00 -0.21 -0.04 1.62 3.32 -2.03 -3.38 116.42 115.70 2k8i h ASP 114 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2k8i h ASP 114 Cb 0.00 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2k8i h ASP 114 CO 0.00 0.30 0.00 0.47 -1.72 0.00 0.00 179.24 178.29 2k8i n ASP 115 N -4.96 1.77 -3.85 6.45 8.00 -1.26 -4.94 116.55 117.76 2k8i n ASP 115 Ca -0.08 -1.62 -0.12 0.00 0.71 0.00 0.00 54.79 53.68 2k8i n ASP 115 Cb 0.26 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.23 2k8i n ASP 115 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2k8i s HIS 116 N -0.66 -0.02 0.38 1.24 -3.43 -1.26 -0.06 115.29 111.48 2k8i s HIS 116 Ca 0.04 0.01 0.08 0.00 -0.80 0.00 0.00 55.06 54.39 2k8i s HIS 116 Cb 0.02 -0.02 -0.06 0.00 -1.43 0.00 0.00 32.58 31.10 2k8i s HIS 116 CO 0.03 -0.26 0.06 0.14 -2.00 0.00 0.00 174.74 172.71 2k8i s VAL 117 N -1.10 2.39 -0.20 -5.38 -7.23 -0.35 -0.08 120.40 108.45 2k8i s VAL 117 Ca -0.12 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2k8i s VAL 117 Cb -0.06 -2.89 0.04 0.00 0.56 0.00 0.00 36.38 34.02 2k8i s VAL 117 CO 0.02 -0.10 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.88 2k8i s VAL 118 N -2.59 1.83 -0.10 1.32 1.01 0.32 -1.29 120.40 120.90 2k8i s VAL 118 Ca 0.37 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2k8i s VAL 118 Cb 0.03 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2k8i s VAL 118 CO 0.20 0.27 -0.22 0.68 0.00 0.00 0.00 175.10 176.02 2k8i s VAL 119 N 1.33 2.22 0.14 2.92 -7.23 -1.16 0.09 120.40 118.71 2k8i s VAL 119 Ca -0.00 -0.97 0.06 0.00 -1.81 0.00 0.00 61.98 59.26 2k8i s VAL 119 Cb -0.16 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2k8i s VAL 119 CO -0.09 0.56 0.05 -0.62 -0.31 0.00 0.00 175.10 174.68 2k8i s ASP 120 N 0.29 5.11 0.00 4.85 -1.08 -1.23 -2.86 116.67 121.75 2k8i s ASP 120 Ca -0.16 -0.23 0.18 0.00 -0.52 0.00 0.00 52.55 51.81 2k8i s ASP 120 Cb -0.17 -1.22 0.24 0.00 -1.46 0.00 0.00 42.92 40.30 2k8i s ASP 120 CO 0.08 0.11 1.16 0.61 0.52 0.00 0.00 175.17 177.65 2k8i n GLY 121 N 0.03 0.98 3.36 2.66 0.00 -0.81 -4.34 105.19 107.06 2k8i n GLY 121 Ca -0.09 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 2k8i n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8i s ASN 122 N -1.35 2.46 0.00 1.61 2.20 -1.26 -5.03 114.94 113.57 2k8i s ASN 122 Ca 0.25 -1.10 0.00 0.00 -0.94 0.00 0.00 52.86 51.07 2k8i s ASN 122 Cb 0.16 -0.11 0.00 0.00 -2.00 0.00 0.00 41.25 39.30 2k8i s ASN 122 CO 0.23 -0.28 0.00 0.00 -2.94 0.00 0.00 177.10 174.11 2k8i n HIS 123 N -0.43 0.00 0.97 1.54 1.44 -1.26 -4.92 115.22 112.56 2k8i n HIS 123 Ca -0.07 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.76 2k8i n HIS 123 Cb 0.62 0.00 0.56 0.00 0.12 0.00 0.00 29.99 31.29 2k8i n HIS 123 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k8i n MET 124 N -0.87 0.14 0.02 -1.40 0.00 -1.26 -1.82 117.12 111.93 2k8i n MET 124 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 57.70 57.90 2k8i n MET 124 Cb 0.00 -1.50 0.46 0.00 0.00 0.00 0.00 33.22 32.18 2k8i n MET 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2k8i n LEU 125 N -1.41 0.29 0.00 3.17 4.32 -1.26 -4.90 117.00 117.20 2k8i n LEU 125 Ca 0.08 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 2k8i n LEU 125 Cb 0.25 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2k8i n LEU 125 CO 0.21 0.01 0.00 0.00 -1.22 0.00 0.00 177.39 176.39 2k8i n ALA 126 N -1.56 0.00 0.00 -1.18 0.00 -0.75 -4.55 120.51 112.47 2k8i n ALA 126 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2k8i n ALA 126 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2k8i n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8i n GLY 127 N 0.64 1.08 3.58 0.00 0.00 -1.25 -4.96 105.19 104.29 2k8i n GLY 127 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2k8i n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8i s GLN 128 N -0.95 2.98 -0.10 1.61 -0.21 -1.26 -4.73 119.66 116.99 2k8i s GLN 128 Ca 0.00 1.33 -0.27 0.00 0.02 0.00 0.00 55.36 56.44 2k8i s GLN 128 Cb 0.00 -4.32 -0.02 0.00 1.00 0.00 0.00 33.01 29.67 2k8i s GLN 128 CO 0.00 -2.29 0.89 -0.80 -2.12 0.00 0.00 175.29 170.98 2k8i s ASN 129 N 7.71 7.13 0.17 5.90 0.01 -1.26 -2.03 114.94 132.57 2k8i s ASN 129 Ca 0.82 1.38 0.05 0.00 -0.71 0.00 0.00 52.86 54.41 2k8i s ASN 129 Cb -0.21 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 2k8i s ASN 129 CO 0.30 -0.34 0.13 -0.76 -1.51 0.00 0.00 177.10 174.92 2k8i s LEU 130 N 1.65 3.77 -0.13 0.60 1.43 -0.73 -3.23 118.68 122.03 2k8i s LEU 130 Ca 0.44 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2k8i s LEU 130 Cb -0.18 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2k8i s LEU 130 CO 0.18 0.07 -0.16 -0.54 0.23 0.00 0.00 176.35 176.13 2k8i s LYS 131 N -3.10 2.36 -0.03 1.70 1.02 0.17 -1.78 119.74 120.09 2k8i s LYS 131 Ca 0.31 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 55.76 2k8i s LYS 131 Cb -0.10 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 2k8i s LYS 131 CO 0.23 -0.15 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.24 2k8i s PHE 132 N 1.22 2.47 -0.38 3.18 0.08 0.84 -1.11 117.98 124.29 2k8i s PHE 132 Ca -0.01 -0.35 -0.07 0.00 0.12 0.00 0.00 56.93 56.63 2k8i s PHE 132 Cb -0.14 -1.55 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 2k8i s PHE 132 CO -0.06 0.04 0.17 -0.80 -0.10 0.00 0.00 175.22 174.46 2k8i s ASN 133 N -0.64 5.40 -0.15 1.36 -0.87 -0.56 0.26 114.94 119.74 2k8i s ASN 133 Ca 0.10 -1.41 -0.09 0.00 -1.57 0.00 0.00 52.86 49.89 2k8i s ASN 133 Cb -0.10 -1.90 -0.04 0.00 -0.02 0.00 0.00 41.25 39.19 2k8i s ASN 133 CO -0.00 -0.43 0.15 -0.69 -2.57 0.00 0.00 177.10 173.56 2k8i s VAL 134 N 1.36 5.45 -0.38 1.60 1.01 -0.56 -2.22 120.40 126.66 2k8i s VAL 134 Ca 0.01 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2k8i s VAL 134 Cb -0.21 -3.45 0.13 0.00 0.00 0.00 0.00 36.38 32.85 2k8i s VAL 134 CO 0.01 0.54 0.21 -1.61 0.00 0.00 0.00 175.10 174.25 2k8i s GLU 135 N -0.42 0.83 -0.26 2.72 2.02 0.23 -2.29 118.70 121.53 2k8i s GLU 135 Ca 0.13 -1.55 -0.29 0.00 0.02 0.00 0.00 54.97 53.28 2k8i s GLU 135 Cb -0.12 -1.73 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 2k8i s GLU 135 CO 0.02 -1.17 1.46 0.54 0.02 0.00 0.00 175.26 176.13 2k8i s VAL 136 N 0.86 3.91 -0.02 2.63 0.11 -1.01 0.18 120.40 127.06 2k8i s VAL 136 Ca 0.17 1.03 -0.24 0.00 -2.93 0.00 0.00 61.98 60.01 2k8i s VAL 136 Cb -0.23 -3.93 -0.20 0.00 -1.53 0.00 0.00 36.38 30.49 2k8i s VAL 136 CO -0.02 -0.38 1.16 0.58 -3.33 0.00 0.00 175.10 173.11 2k8i h VAL 137 N 6.05 1.47 -2.83 2.04 2.07 -1.05 0.30 116.25 124.29 2k8i h VAL 137 Ca -0.30 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 2k8i h VAL 137 Cb 1.13 2.41 -0.14 0.00 -1.52 0.00 0.00 31.29 33.17 2k8i h VAL 137 CO 1.02 0.44 0.16 0.00 0.02 0.00 0.00 177.57 179.21 2k8i s ALA 138 N -3.67 -1.54 -0.04 1.67 0.00 0.46 -4.59 121.76 114.05 2k8i s ALA 138 Ca -0.16 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 2k8i s ALA 138 Cb 0.02 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.83 2k8i s ALA 138 CO 0.73 -0.66 0.06 0.42 0.00 0.00 0.00 175.76 176.31 2k8i s ILE 139 N -3.14 -0.10 -0.10 0.00 1.01 -1.26 -1.21 121.20 116.40 2k8i s ILE 139 Ca -0.02 0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.91 2k8i s ILE 139 Cb -0.01 -0.14 0.03 0.00 0.01 0.00 0.00 42.46 42.35 2k8i s ILE 139 CO -0.07 0.15 0.25 -0.60 0.00 0.00 0.00 174.94 174.67 2k8i s ARG 140 N 1.80 0.27 0.24 2.79 3.52 0.53 -4.94 118.95 123.17 2k8i s ARG 140 Ca 0.00 0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.71 2k8i s ARG 140 Cb -0.12 0.07 -0.09 0.00 -1.56 0.00 0.00 34.95 33.25 2k8i s ARG 140 CO -0.03 -0.07 1.08 -1.83 -0.81 0.00 0.00 175.30 173.63 2k8i s GLU 141 N 0.47 4.66 0.93 5.12 -1.05 -1.26 -0.42 118.70 127.15 2k8i s GLU 141 Ca -0.03 1.73 -0.15 0.00 -0.15 0.00 0.00 54.97 56.38 2k8i s GLU 141 Cb -0.04 -3.23 0.18 0.00 -0.44 0.00 0.00 34.13 30.60 2k8i s GLU 141 CO -0.02 0.21 1.29 0.00 0.95 0.00 0.00 175.26 177.68 2k8i s ALA 142 N -0.87 2.36 -0.38 -0.84 0.00 -1.20 -4.83 121.76 116.00 2k8i s ALA 142 Ca 0.46 -1.14 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2k8i s ALA 142 Cb -0.30 -2.77 0.63 0.00 0.00 0.00 0.00 23.12 20.68 2k8i s ALA 142 CO 0.38 -2.28 1.61 0.25 0.00 0.00 0.00 175.76 175.71 2k8i n THR 143 N -3.66 2.46 0.00 0.00 -2.24 -1.26 -4.90 114.28 104.68 2k8i n THR 143 Ca 0.14 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2k8i n THR 143 Cb 0.60 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2k8i n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k8i n GLU 144 N 0.05 0.00 -0.22 -0.78 1.02 -1.26 -4.46 120.64 114.99 2k8i n GLU 144 Ca 0.32 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.37 2k8i n GLU 144 Cb 1.18 -0.16 0.03 0.00 -0.02 0.00 0.00 31.44 32.47 2k8i n GLU 144 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k8i h GLU 145 N 0.00 1.08 -0.35 3.49 5.08 -1.98 0.45 114.58 122.35 2k8i h GLU 145 Ca 0.00 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2k8i h GLU 145 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2k8i h GLU 145 CO 0.00 1.03 0.05 0.93 -1.00 0.00 0.00 179.01 180.02 2k8i h GLU 146 N 0.98 0.52 -0.06 2.33 5.08 -1.78 0.40 114.58 122.04 2k8i h GLU 146 Ca 0.18 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2k8i h GLU 146 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k8i h GLU 146 CO 0.02 0.50 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.31 2k8i h LEU 147 N 0.50 0.25 -1.91 1.33 3.38 -1.59 0.26 115.31 117.54 2k8i h LEU 147 Ca 0.11 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k8i h LEU 147 Cb 0.25 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k8i h LEU 147 CO 0.00 0.80 0.01 0.00 0.09 0.00 0.00 178.44 179.34 2k8i h ALA 148 N 0.46 1.93 0.00 1.53 0.00 0.23 -2.16 119.26 121.26 2k8i h ALA 148 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k8i h ALA 148 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k8i h ALA 148 CO 0.04 0.06 -1.60 0.72 0.00 0.00 0.00 179.25 178.47 2k8i n HIS 149 N -4.51 0.06 -1.21 0.00 8.25 0.10 -5.00 115.22 112.91 2k8i n HIS 149 Ca -0.02 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k8i n HIS 149 Cb 0.11 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.84 2k8i n HIS 149 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k8i n GLY 150 N 1.33 0.65 3.64 -1.41 0.00 0.76 -5.03 105.19 105.14 2k8i n GLY 150 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 2k8i n GLY 150 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k8i s HIS 151 N -2.00 -0.17 0.21 1.61 -3.43 -0.26 -4.82 115.29 106.43 2k8i s HIS 151 Ca 0.00 -0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 53.94 2k8i s HIS 151 Cb 0.00 0.58 -0.10 0.00 -1.43 0.00 0.00 32.58 31.63 2k8i s HIS 151 CO 0.00 -0.55 1.44 0.08 -2.00 0.00 0.00 174.74 173.71 2k8i s VAL 152 N -2.94 2.80 -0.64 -5.38 1.01 -1.26 -4.47 120.40 109.52 2k8i s VAL 152 Ca 0.10 0.64 0.05 0.00 0.00 0.00 0.00 61.98 62.77 2k8i s VAL 152 Cb 0.00 -3.41 0.17 0.00 0.00 0.00 0.00 36.38 33.14 2k8i s VAL 152 CO -0.03 0.09 0.46 -2.28 0.00 0.00 0.00 175.10 173.34 2k8i s HIS 153 N 0.32 3.00 0.00 5.22 5.04 -1.26 -4.75 115.29 122.86 2k8i s HIS 153 Ca 0.61 -3.11 0.00 0.00 -1.54 0.00 0.00 55.06 51.02 2k8i s HIS 153 Cb -0.41 -2.29 0.00 0.00 0.04 0.00 0.00 32.58 29.92 2k8i s HIS 153 CO 0.39 -0.61 0.00 0.41 -2.34 0.00 0.00 174.74 172.59 2k8i n GLY 154 N 2.16 0.00 0.00 1.59 0.00 -1.26 -5.00 105.19 102.68 2k8i n GLY 154 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2k8i n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8i n ALA 155 N 0.00 0.00 -1.59 4.61 0.00 -1.26 -5.12 120.51 117.14 2k8i n ALA 155 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k8i n ALA 155 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k8i n ALA 155 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k8i n HIS 156 N -1.86 -3.54 -2.87 0.00 -0.00 -1.26 -4.94 115.22 100.76 2k8i n HIS 156 Ca 0.00 2.12 -0.41 0.00 -0.00 0.00 0.00 57.72 59.43 2k8i n HIS 156 Cb 0.00 -3.20 -0.04 0.00 -0.00 0.00 0.00 29.99 26.74 2k8i n HIS 156 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2k8i s ASP 157 N -0.46 7.28 -0.58 0.26 -4.77 -1.26 -5.00 116.67 112.14 2k8i s ASP 157 Ca 0.00 1.53 0.04 0.00 -3.30 0.00 0.00 52.55 50.83 2k8i s ASP 157 Cb 0.00 -2.51 0.14 0.00 -1.09 0.00 0.00 42.92 39.46 2k8i s ASP 157 CO 0.00 -0.09 0.34 -1.38 0.70 0.00 0.00 175.17 174.74 2k8i s HIS 158 N 0.37 3.18 0.43 2.11 -3.43 -1.26 -5.10 115.29 111.59 2k8i s HIS 158 Ca 0.44 -3.16 -0.07 0.00 -0.80 0.00 0.00 55.06 51.47 2k8i s HIS 158 Cb -0.21 -2.67 -0.05 0.00 -1.43 0.00 0.00 32.58 28.23 2k8i s HIS 158 CO 0.25 -0.68 0.75 -3.38 -2.00 0.00 0.00 174.74 169.68 2k8i s HIS 159 N -0.65 3.52 -0.19 0.38 -3.43 -1.26 -5.07 115.29 108.59 2k8i s HIS 159 Ca 0.20 0.85 -0.02 0.00 -0.80 0.00 0.00 55.06 55.29 2k8i s HIS 159 Cb -0.18 -2.31 -0.01 0.00 -1.43 0.00 0.00 32.58 28.65 2k8i s HIS 159 CO -0.06 -0.17 -0.08 -1.01 -2.00 0.00 0.00 174.74 171.42 2k8i s HIS 160 N -2.55 2.90 0.53 0.38 3.76 -1.26 -5.11 115.29 113.94 2k8i s HIS 160 Ca 0.48 -0.92 0.07 0.00 -0.15 0.00 0.00 55.06 54.54 2k8i s HIS 160 Cb -0.10 -2.01 0.04 0.00 1.11 0.00 0.00 32.58 31.62 2k8i s HIS 160 CO 0.39 -0.47 0.50 -0.51 -0.85 0.00 0.00 174.74 173.80 2k8i s ASP 161 N 1.11 4.81 -0.04 1.40 1.11 -1.26 -5.15 116.67 118.64 2k8i s ASP 161 Ca 0.01 -1.07 -0.15 0.00 0.18 0.00 0.00 52.55 51.52 2k8i s ASP 161 Cb -0.15 0.24 0.03 0.00 1.07 0.00 0.00 42.92 44.11 2k8i s ASP 161 CO -0.02 -1.09 0.34 -1.38 1.18 0.00 0.00 175.17 174.20 2k8i s HIS 162 N -2.70 -0.25 -1.25 4.23 -3.43 -1.26 -4.96 115.29 105.67 2k8i s HIS 162 Ca 0.43 0.47 -0.01 0.00 -0.80 0.00 0.00 55.06 55.15 2k8i s HIS 162 Cb -0.03 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 2k8i s HIS 162 CO 0.27 -0.35 0.13 -0.25 -2.00 0.00 0.00 174.74 172.54 2k8i n ASP 163 N 1.65 -4.67 -4.74 7.38 8.00 -1.26 -5.01 116.55 117.90 2k8i n ASP 163 Ca -0.19 -0.07 -0.29 0.00 0.71 0.00 0.00 54.79 54.95 2k8i n ASP 163 Cb 0.56 -3.73 -0.07 0.00 -0.02 0.00 0.00 41.12 37.87 2k8i n ASP 163 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2k8i s HIS 164 N -2.83 3.06 -0.23 1.24 -3.43 -1.26 -5.12 115.29 106.72 2k8i s HIS 164 Ca 0.07 -0.01 -0.11 0.00 -0.80 0.00 0.00 55.06 54.20 2k8i s HIS 164 Cb -0.03 -1.53 0.08 0.00 -1.43 0.00 0.00 32.58 29.67 2k8i s HIS 164 CO 0.08 0.51 0.54 0.34 -2.00 0.00 0.00 174.74 174.21 2k8i s ASP 165 N -2.62 -0.70 -0.13 7.38 -1.08 -1.26 -5.00 116.67 113.26 2k8i s ASP 165 Ca 0.28 1.22 0.16 0.00 -0.52 0.00 0.00 52.55 53.69 2k8i s ASP 165 Cb -0.11 1.33 0.40 0.00 -1.46 0.00 0.00 42.92 43.08 2k8i s ASP 165 CO 0.21 -0.22 1.19 1.41 0.52 0.00 0.00 175.17 178.28 2k8i n HIS 166 N 4.70 0.00 -0.00 -5.34 8.25 -1.26 -4.74 115.22 116.83 2k8i n HIS 166 Ca -0.17 -1.09 0.01 0.00 -0.26 0.00 0.00 57.72 56.21 2k8i n HIS 166 Cb 0.54 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 2k8i n HIS 166 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k8i n HIS 167 N -0.57 0.00 -1.58 4.41 -0.00 -1.26 -4.95 115.22 111.27 2k8i n HIS 167 Ca 0.14 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.52 2k8i n HIS 167 Cb 0.84 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.99 30.70 2k8i n HIS 167 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k8i s HIS 168 N -2.23 1.10 0.00 1.57 2.46 -1.26 -3.92 115.29 113.01 2k8i s HIS 168 Ca -0.01 1.59 0.00 0.00 0.47 0.00 0.00 55.06 57.11 2k8i s HIS 168 Cb 0.02 -3.58 0.00 0.00 -0.13 0.00 0.00 32.58 28.89 2k8i s HIS 168 CO 0.15 -2.42 0.00 1.58 -2.47 0.00 0.00 174.74 171.57 2k8i n HIS 169 N 16.12 -0.17 -3.64 3.88 -0.00 -1.26 -5.06 115.22 125.09 2k8i n HIS 169 Ca 0.37 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.80 2k8i n HIS 169 Cb 0.54 0.03 -0.14 0.00 -0.00 0.00 0.00 29.99 30.42 2k8i n HIS 169 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k8i s HIS 170 N -1.10 1.19 0.00 1.57 5.65 -1.25 -5.32 115.29 116.03 2k8i s HIS 170 Ca 0.00 -1.55 0.00 0.00 0.25 0.00 0.00 55.06 53.76 2k8i s HIS 170 Cb 0.00 -1.39 0.00 0.00 -1.18 0.00 0.00 32.58 30.01 2k8i s HIS 170 CO 0.00 -0.85 0.27 1.58 -0.65 0.00 0.00 174.74 175.09