#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 2.52 -0.24 3.17 -2.85 -1.26 -4.65 119.74 116.43 2k8i s LYS 2 Ca 0.00 -1.56 -0.23 0.00 -1.00 0.00 0.00 55.97 53.18 2k8i s LYS 2 Cb 0.00 -2.40 -0.01 0.00 -2.06 0.00 0.00 37.83 33.36 2k8i s LYS 2 CO 0.00 -0.27 0.74 0.54 0.10 0.00 0.00 175.35 176.46 2k8i s VAL 3 N -2.50 4.91 0.11 1.79 0.11 -0.80 -4.92 120.40 119.10 2k8i s VAL 3 Ca 0.48 1.38 -0.00 0.00 -2.93 0.00 0.00 61.98 60.91 2k8i s VAL 3 Cb -0.04 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2k8i s VAL 3 CO 0.28 -0.02 0.14 0.00 -3.33 0.00 0.00 175.10 172.18 2k8i n ALA 4 N 5.78 -0.05 -1.69 1.54 0.00 -1.26 -2.58 120.51 122.24 2k8i n ALA 4 Ca 0.03 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.57 2k8i n ALA 4 Cb 0.48 0.41 0.05 0.00 0.00 0.00 0.00 19.45 20.39 2k8i n ALA 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k8i n LYS 5 N -0.18 1.36 -0.17 0.00 4.81 -1.26 -1.96 118.16 120.76 2k8i n LYS 5 Ca 0.01 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2k8i n LYS 5 Cb 0.18 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 32.83 2k8i n LYS 5 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k8i n ASP 6 N -0.89 0.00 -4.52 3.14 8.00 0.50 -4.89 116.55 117.89 2k8i n ASP 6 Ca 0.12 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 2k8i n ASP 6 Cb 0.45 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.08 2k8i n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k8i s LEU 7 N 0.00 3.99 0.48 0.64 1.43 -0.83 -2.89 118.68 121.50 2k8i s LEU 7 Ca 0.00 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.44 2k8i s LEU 7 Cb 0.00 -2.77 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 2k8i s LEU 7 CO 0.00 -1.35 1.41 0.54 0.23 0.00 0.00 176.35 177.18 2k8i s VAL 8 N 4.24 2.06 -0.19 -1.59 0.11 0.34 -3.67 120.40 121.71 2k8i s VAL 8 Ca 0.31 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.29 2k8i s VAL 8 Cb -0.12 -3.03 0.06 0.00 -1.53 0.00 0.00 36.38 31.76 2k8i s VAL 8 CO 0.18 0.01 0.47 0.68 -3.33 0.00 0.00 175.10 173.10 2k8i s VAL 9 N -1.23 -0.02 -0.27 2.04 -7.23 -1.26 -0.22 120.40 112.21 2k8i s VAL 9 Ca 0.64 0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.77 2k8i s VAL 9 Cb -0.43 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 2k8i s VAL 9 CO 0.54 0.03 0.18 -0.44 -0.31 0.00 0.00 175.10 175.10 2k8i s SER 10 N 1.25 6.01 0.01 4.85 0.01 0.10 -4.20 113.70 121.73 2k8i s SER 10 Ca -0.08 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2k8i s SER 10 Cb -0.07 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 2k8i s SER 10 CO -0.12 -0.03 -0.02 -1.48 0.41 0.00 0.00 173.24 172.01 2k8i s LEU 11 N 1.63 2.09 0.15 2.44 -0.00 -1.25 0.29 118.68 124.03 2k8i s LEU 11 Ca 0.07 -0.20 0.04 0.00 -0.00 0.00 0.00 54.13 54.04 2k8i s LEU 11 Cb -0.16 -0.01 -0.04 0.00 -0.00 0.00 0.00 46.19 45.99 2k8i s LEU 11 CO 0.10 -0.10 0.16 0.00 -0.00 0.00 0.00 176.35 176.51 2k8i s ALA 12 N -0.56 3.66 0.17 1.48 0.00 0.74 0.77 121.76 128.02 2k8i s ALA 12 Ca -0.05 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 2k8i s ALA 12 Cb -0.04 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 2k8i s ALA 12 CO -0.00 0.55 0.33 1.52 0.00 0.00 0.00 175.76 178.15 2k8i s TYR 13 N -1.70 0.29 -0.09 0.00 1.13 -0.63 0.82 117.35 117.16 2k8i s TYR 13 Ca 0.32 -0.66 -0.01 0.00 -1.41 0.00 0.00 57.07 55.31 2k8i s TYR 13 Cb -0.11 0.03 0.03 0.00 -1.10 0.00 0.00 41.96 40.81 2k8i s TYR 13 CO 0.24 -0.75 -0.05 -1.14 -2.51 0.00 0.00 175.55 171.34 2k8i s GLN 14 N -3.95 1.17 -0.27 -3.49 0.74 -0.62 -0.40 119.66 112.84 2k8i s GLN 14 Ca 0.15 -0.12 -0.09 0.00 0.05 0.00 0.00 55.36 55.36 2k8i s GLN 14 Cb 0.02 -1.32 -0.03 0.00 1.10 0.00 0.00 33.01 32.78 2k8i s GLN 14 CO -0.01 -0.26 0.12 0.08 -0.55 0.00 0.00 175.29 174.67 2k8i s VAL 15 N 1.73 4.68 0.07 1.34 1.01 0.15 -0.86 120.40 128.54 2k8i s VAL 15 Ca 0.04 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2k8i s VAL 15 Cb -0.13 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2k8i s VAL 15 CO -0.06 0.29 -0.11 0.00 0.00 0.00 0.00 175.10 175.21 2k8i s ARG 16 N 1.67 0.76 0.89 2.72 1.70 0.89 -0.28 118.95 127.29 2k8i s ARG 16 Ca 0.06 -0.97 -0.13 0.00 -0.47 0.00 0.00 55.73 54.22 2k8i s ARG 16 Cb -0.16 -0.62 0.16 0.00 -0.57 0.00 0.00 34.95 33.77 2k8i s ARG 16 CO 0.06 0.12 1.23 0.95 -1.08 0.00 0.00 175.30 176.59 2k8i s THR 17 N -1.66 2.04 0.47 4.99 -4.23 -0.15 0.40 115.64 117.49 2k8i s THR 17 Ca -0.01 -0.10 0.14 0.00 -1.18 0.00 0.00 61.69 60.53 2k8i s THR 17 Cb -0.08 -2.94 0.29 0.00 1.34 0.00 0.00 72.50 71.11 2k8i s THR 17 CO 0.01 0.00 2.07 -0.33 -0.54 0.00 0.00 174.62 175.83 2k8i h GLU 18 N -1.32 0.26 0.00 3.99 5.08 -1.91 0.54 114.58 121.21 2k8i h GLU 18 Ca -0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k8i h GLU 18 Cb 1.26 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k8i h GLU 18 CO 0.45 0.17 0.00 0.22 -1.00 0.00 0.00 179.01 178.85 2k8i h ASP 19 N 0.26 0.00 0.00 1.42 3.58 -1.92 -3.46 116.42 116.31 2k8i h ASP 19 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k8i h ASP 19 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2k8i h ASP 19 CO -0.03 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.94 2k8i n GLY 20 N -0.07 1.21 3.55 -0.78 0.00 0.18 -5.07 105.19 104.20 2k8i n GLY 20 Ca 0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 4.52 0.01 1.61 1.01 -1.26 -4.79 120.40 119.49 2k8i s VAL 21 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2k8i s VAL 21 Cb 0.00 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 2k8i s VAL 21 CO 0.00 0.42 1.59 -0.22 0.00 0.00 0.00 175.10 176.89 2k8i s LEU 22 N 0.83 4.34 -0.13 3.92 2.96 -1.26 -0.98 118.68 128.35 2k8i s LEU 22 Ca 0.03 2.30 0.02 0.00 -0.22 0.00 0.00 54.13 56.27 2k8i s LEU 22 Cb -0.14 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 2k8i s LEU 22 CO 0.02 -0.86 -0.10 1.33 -1.32 0.00 0.00 176.35 175.43 2k8i n VAL 23 N 4.97 0.77 -3.85 1.68 0.24 0.62 -4.96 118.33 117.79 2k8i n VAL 23 Ca 0.16 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 2k8i n VAL 23 Cb 0.42 -0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 31.76 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 -5.16 0.01 -0.23 -1.34 2.15 -1.16 -5.03 116.67 105.90 2k8i s ASP 24 Ca -0.16 -0.26 -0.19 0.00 0.43 0.00 0.00 52.55 52.36 2k8i s ASP 24 Cb 0.04 0.26 0.06 0.00 -0.30 0.00 0.00 42.92 42.98 2k8i s ASP 24 CO 0.33 -0.47 0.61 -0.70 -0.17 0.00 0.00 175.17 174.77 2k8i s GLU 25 N -1.98 0.69 -0.25 4.34 2.12 -1.26 0.32 118.70 122.69 2k8i s GLU 25 Ca -0.10 0.91 -0.00 0.00 0.36 0.00 0.00 54.97 56.14 2k8i s GLU 25 Cb -0.04 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.67 2k8i s GLU 25 CO -0.01 -0.10 -0.08 -1.12 -0.54 0.00 0.00 175.26 173.41 2k8i s SER 26 N 0.64 4.24 1.00 -1.70 0.01 0.46 -4.97 113.70 113.39 2k8i s SER 26 Ca -0.03 -0.98 -0.12 0.00 1.31 0.00 0.00 55.95 56.13 2k8i s SER 26 Cb -0.05 -1.62 0.19 0.00 0.21 0.00 0.00 66.02 64.75 2k8i s SER 26 CO -0.04 -0.14 1.08 -2.16 0.41 0.00 0.00 173.24 172.39 2k8i s PRO 27 N 1.27 0.38 0.46 12.44 0.04 -1.22 -1.61 135.00 146.76 2k8i s PRO 27 Ca -0.02 0.75 0.32 0.00 0.04 0.00 0.00 61.00 62.09 2k8i s PRO 27 Cb -0.17 -1.71 1.47 0.00 0.04 0.00 0.00 34.50 34.13 2k8i s PRO 27 CO -0.05 -2.82 1.95 -0.39 0.04 0.00 0.00 177.00 175.72 2k8i h VAL 28 N -1.97 0.00 0.03 -0.36 -1.51 -1.95 -2.18 116.25 108.32 2k8i h VAL 28 Ca -0.54 -0.24 -0.22 0.00 -1.23 0.00 0.00 66.70 64.47 2k8i h VAL 28 Cb 1.31 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 2k8i h VAL 28 CO 0.54 0.00 -0.99 0.77 -1.23 0.00 0.00 177.57 176.65 2k8i h SER 29 N 0.00 0.23 -3.21 4.19 4.64 -2.02 -3.42 113.55 113.96 2k8i h SER 29 Ca 0.00 -0.21 -0.47 0.00 -0.47 0.00 0.00 61.79 60.64 2k8i h SER 29 Cb 0.27 -0.07 -0.40 0.00 -0.31 0.00 0.00 62.40 61.89 2k8i h SER 29 CO 0.00 1.09 -0.76 0.00 -0.87 0.00 0.00 176.83 176.29 2k8i s ALA 30 N -2.95 0.71 0.86 5.18 0.00 -0.82 -5.15 121.76 119.60 2k8i s ALA 30 Ca -0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 2k8i s ALA 30 Cb 0.09 -1.00 0.11 0.00 0.00 0.00 0.00 23.12 22.32 2k8i s ALA 30 CO 0.84 -0.97 1.15 -2.14 0.00 0.00 0.00 175.76 174.63 2k8i s PRO 31 N 1.99 1.54 0.74 0.00 0.02 -1.25 -3.44 135.00 134.61 2k8i s PRO 31 Ca 0.02 0.26 -0.12 0.00 0.02 0.00 0.00 61.00 61.18 2k8i s PRO 31 Cb -0.15 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.52 2k8i s PRO 31 CO -0.07 -1.91 1.09 -1.17 -0.33 0.00 0.00 177.00 174.61 2k8i s LEU 32 N -5.84 3.13 0.21 -5.54 0.20 0.23 -4.87 118.68 106.21 2k8i s LEU 32 Ca 0.63 1.86 -0.09 0.00 0.69 0.00 0.00 54.13 57.22 2k8i s LEU 32 Cb -0.13 -4.53 -0.07 0.00 -0.43 0.00 0.00 46.19 41.03 2k8i s LEU 32 CO 0.52 -1.91 0.53 -1.81 -0.29 0.00 0.00 176.35 173.39 2k8i s ASP 33 N -3.19 6.62 -0.08 3.68 1.11 -1.26 -3.86 116.67 119.68 2k8i s ASP 33 Ca 0.63 0.89 0.02 0.00 0.18 0.00 0.00 52.55 54.26 2k8i s ASP 33 Cb -0.18 -2.21 0.02 0.00 1.07 0.00 0.00 42.92 41.62 2k8i s ASP 33 CO 0.52 -0.04 -0.12 -0.72 1.18 0.00 0.00 175.17 175.99 2k8i s TYR 34 N -1.77 1.58 -0.30 4.23 -0.85 -1.26 -4.46 117.35 114.52 2k8i s TYR 34 Ca 0.46 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 2k8i s TYR 34 Cb -0.12 -1.19 0.14 0.00 0.38 0.00 0.00 41.96 41.18 2k8i s TYR 34 CO 0.21 -0.37 0.33 -1.17 -1.52 0.00 0.00 175.55 173.04 2k8i s LEU 35 N 0.95 -0.34 0.23 -3.49 2.96 -0.79 -4.35 118.68 113.84 2k8i s LEU 35 Ca -0.09 -0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 2k8i s LEU 35 Cb -0.15 0.65 -0.09 0.00 0.50 0.00 0.00 46.19 47.10 2k8i s LEU 35 CO 0.00 -0.36 1.25 -2.28 -1.32 0.00 0.00 176.35 173.63 2k8i s HIS 36 N 2.26 3.32 0.00 5.38 5.65 -1.24 -1.67 115.29 128.99 2k8i s HIS 36 Ca 0.11 1.38 0.00 0.00 0.25 0.00 0.00 55.06 56.79 2k8i s HIS 36 Cb -0.14 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 2k8i s HIS 36 CO -0.28 -1.49 0.00 0.41 -0.65 0.00 0.00 174.74 172.73 2k8i n GLY 37 N 1.92 2.99 0.42 1.59 0.00 -1.26 -0.37 105.19 110.47 2k8i n GLY 37 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2k8i n GLY 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k8i n HIS 38 N -0.79 0.00 0.00 1.61 -0.00 -1.19 -4.99 115.22 109.86 2k8i n HIS 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k8i n HIS 38 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 2k8i n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k8i n GLY 39 N 0.00 1.15 0.86 -1.39 0.00 -0.67 -5.02 105.19 100.12 2k8i n GLY 39 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2k8i n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k8i n SER 40 N 0.00 0.54 -1.72 1.61 7.64 -1.12 -1.89 113.62 118.68 2k8i n SER 40 Ca 0.00 0.08 -0.02 0.00 1.01 0.00 0.00 58.87 59.94 2k8i n SER 40 Cb 0.00 -0.20 0.01 0.00 -1.01 0.00 0.00 64.21 63.01 2k8i n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8i n LEU 41 N -3.31 0.00 -2.85 -3.43 -0.00 -1.26 -4.55 117.00 101.59 2k8i n LEU 41 Ca -0.08 -0.68 -0.29 0.00 -0.00 0.00 0.00 56.01 54.96 2k8i n LEU 41 Cb 0.46 1.13 -0.01 0.00 -0.00 0.00 0.00 43.42 45.00 2k8i n LEU 41 CO 0.01 -0.23 -0.17 2.30 -0.00 0.00 0.00 177.39 179.31 2k8i n ILE 42 N -0.22 0.80 -0.19 1.47 -5.35 -1.26 -4.67 119.36 109.94 2k8i n ILE 42 Ca -0.02 -0.33 -0.10 0.00 -0.27 0.00 0.00 62.75 62.04 2k8i n ILE 42 Cb 0.20 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.40 0.95 -0.88 7.28 0.87 -1.89 -1.93 113.55 118.35 2k8i h SER 43 Ca -0.22 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.07 2k8i h SER 43 Cb 0.95 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.60 2k8i h SER 43 CO 0.34 1.04 0.56 1.23 -0.53 0.00 0.00 176.83 179.47 2k8i h GLY 44 N 0.84 1.30 0.40 5.77 0.00 -1.90 -0.62 103.07 108.86 2k8i h GLY 44 Ca 0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 2k8i h GLY 44 CO 0.03 0.34 -0.09 -2.00 0.00 0.00 0.00 176.54 174.81 2k8i h LEU 45 N 1.07 0.11 -0.58 3.11 5.85 -1.87 -2.72 115.31 120.27 2k8i h LEU 45 Ca 0.36 -0.69 0.12 0.00 0.84 0.00 0.00 57.88 58.51 2k8i h LEU 45 Cb 0.06 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 2k8i h LEU 45 CO -0.14 0.78 0.04 -0.33 -0.34 0.00 0.00 178.44 178.45 2k8i h GLU 46 N -0.56 0.15 -0.54 1.25 5.08 -1.16 0.46 114.58 119.26 2k8i h GLU 46 Ca -0.01 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2k8i h GLU 46 Cb 0.78 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2k8i h GLU 46 CO 0.02 0.10 0.15 1.15 -1.00 0.00 0.00 179.01 179.43 2k8i h THR 47 N 0.16 1.22 -0.27 1.13 2.02 -1.17 -1.25 112.91 114.74 2k8i h THR 47 Ca 0.30 -0.77 -0.18 0.00 0.77 0.00 0.00 66.41 66.53 2k8i h THR 47 Cb 0.47 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2k8i h THR 47 CO -0.46 0.29 -0.54 0.00 0.37 0.00 0.00 175.52 175.18 2k8i h ALA 48 N 1.37 0.52 -0.74 6.16 0.00 -0.69 -2.89 119.26 122.99 2k8i h ALA 48 Ca 0.18 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k8i h ALA 48 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k8i h ALA 48 CO -0.01 0.68 0.49 -0.07 0.00 0.00 0.00 179.25 180.35 2k8i h LEU 49 N 0.63 0.79 -9.76 0.00 3.38 0.18 -3.45 115.31 107.07 2k8i h LEU 49 Ca 0.02 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2k8i h LEU 49 Cb 1.13 -0.19 0.18 0.00 0.09 0.00 0.00 40.66 41.87 2k8i h LEU 49 CO 0.12 0.55 -0.13 -0.62 0.09 0.00 0.00 178.44 178.45 2k8i n GLU 50 N -4.45 0.53 0.00 1.13 1.02 -0.50 -2.43 120.64 115.94 2k8i n GLU 50 Ca 0.09 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 2k8i n GLU 50 Cb 0.11 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 1.43 2.95 3.95 0.62 0.00 -1.06 -4.97 105.19 108.10 2k8i n GLY 51 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.07 1.37 0.14 1.61 3.76 -1.02 -4.70 115.29 115.38 2k8i s HIS 52 Ca 0.00 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 2k8i s HIS 52 Cb 0.00 -3.88 -0.04 0.00 1.11 0.00 0.00 32.58 29.77 2k8i s HIS 52 CO 0.00 -2.52 -0.04 -1.21 -0.85 0.00 0.00 174.74 170.12 2k8i s GLU 53 N -5.73 0.99 0.41 1.40 2.02 -1.26 -1.90 118.70 114.62 2k8i s GLU 53 Ca 0.74 -1.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.04 2k8i s GLU 53 Cb -0.03 -0.30 -0.11 0.00 0.10 0.00 0.00 34.13 33.79 2k8i s GLU 53 CO 0.51 -0.05 1.02 1.33 0.02 0.00 0.00 175.26 178.09 2k8i n VAL 54 N -0.15 2.38 0.00 2.63 0.24 -1.26 -1.96 118.33 120.20 2k8i n VAL 54 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2k8i n VAL 54 Cb 0.62 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 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 1.17 2.56 3.73 7.63 0.00 0.81 -5.02 105.19 116.07 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 -1.36 6.62 -0.03 1.61 1.01 -0.83 -4.82 116.67 118.87 2k8i s ASP 56 Ca 0.00 2.64 0.01 0.00 0.71 0.00 0.00 52.55 55.90 2k8i s ASP 56 Cb 0.00 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.35 2k8i s ASP 56 CO 0.00 -0.76 -0.01 -0.75 0.21 0.00 0.00 175.17 173.86 2k8i s LYS 57 N 0.37 0.40 0.06 8.23 2.36 -1.25 -2.13 119.74 127.77 2k8i s LYS 57 Ca 0.64 0.04 -0.27 0.00 -2.55 0.00 0.00 55.97 53.83 2k8i s LYS 57 Cb -0.43 -0.54 0.09 0.00 -1.05 0.00 0.00 37.83 35.91 2k8i s LYS 57 CO 0.37 -0.12 0.90 -0.59 1.55 0.00 0.00 175.35 177.46 2k8i s PHE 58 N 0.96 -0.28 0.14 4.03 -0.71 -0.99 -4.98 117.98 116.14 2k8i s PHE 58 Ca -0.10 0.08 -0.17 0.00 -1.04 0.00 0.00 56.93 55.70 2k8i s PHE 58 Cb -0.13 0.58 -0.07 0.00 -1.21 0.00 0.00 43.02 42.18 2k8i s PHE 58 CO -0.01 -0.66 0.59 0.34 -1.34 0.00 0.00 175.22 174.13 2k8i s ASP 59 N -2.66 6.94 0.01 1.98 -1.08 -1.26 -0.84 116.67 119.76 2k8i s ASP 59 Ca 0.07 1.20 0.04 0.00 -0.52 0.00 0.00 52.55 53.34 2k8i s ASP 59 Cb -0.01 -2.33 -0.01 0.00 -1.46 0.00 0.00 42.92 39.10 2k8i s ASP 59 CO -0.05 0.14 -0.12 -0.69 0.52 0.00 0.00 175.17 174.97 2k8i s VAL 60 N -1.37 0.92 -0.17 1.11 1.01 0.23 -4.97 120.40 117.17 2k8i s VAL 60 Ca 0.36 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2k8i s VAL 60 Cb -0.17 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.45 2k8i s VAL 60 CO 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 175.10 175.39 2k8i s ALA 61 N -0.56 1.21 -0.03 5.51 0.00 -1.26 0.03 121.76 126.65 2k8i s ALA 61 Ca 0.02 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.32 2k8i s ALA 61 Cb -0.06 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 2k8i s ALA 61 CO 0.00 -0.92 -0.18 0.08 0.00 0.00 0.00 175.76 174.75 2k8i s VAL 62 N 1.76 1.44 0.49 0.00 1.01 -0.54 -4.99 120.40 119.57 2k8i s VAL 62 Ca 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2k8i s VAL 62 Cb -0.16 -1.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 2k8i s VAL 62 CO -0.07 0.41 1.13 -0.83 0.00 0.00 0.00 175.10 175.74 2k8i s GLY 63 N -0.12 2.69 0.61 4.51 0.00 -1.26 -1.87 107.32 111.88 2k8i s GLY 63 Ca -0.00 0.84 0.38 0.00 0.00 0.00 0.00 44.72 45.94 2k8i s GLY 63 CO 0.01 1.24 2.23 0.00 0.00 0.00 0.00 173.10 176.59 2k8i h ALA 64 N 1.67 1.12 0.00 3.20 0.00 -1.75 -1.03 119.26 122.47 2k8i h ALA 64 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2k8i h ALA 64 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k8i h ALA 64 CO 0.59 0.03 0.00 -2.95 0.00 0.00 0.00 179.25 176.92 2k8i h ASN 65 N 0.00 0.00 0.00 0.00 7.08 -1.89 -3.03 115.58 117.74 2k8i h ASN 65 Ca -0.00 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.00 2k8i h ASN 65 Cb 0.16 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.36 2k8i h ASN 65 CO 0.00 0.00 -1.80 -0.67 -2.08 0.00 0.00 177.43 172.88 2k8i n ASP 66 N -3.03 2.54 0.00 6.14 2.03 -0.49 -4.92 116.55 118.81 2k8i n ASP 66 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2k8i n ASP 66 Cb 0.27 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2k8i n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k8i n ALA 67 N -3.06 0.00 -3.79 -1.67 0.00 -0.60 -4.48 120.51 106.91 2k8i n ALA 67 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 2k8i n ALA 67 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.20 2k8i n ALA 67 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2k8i s TYR 68 N 0.00 -0.06 0.00 0.00 1.13 -1.15 -4.85 117.35 112.42 2k8i s TYR 68 Ca 0.00 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.37 2k8i s TYR 68 Cb 0.00 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.53 2k8i s TYR 68 CO 0.00 -0.89 0.00 0.41 -2.51 0.00 0.00 175.55 172.56 2k8i n GLY 69 N -0.53 1.19 3.78 5.49 0.00 -1.26 -4.32 105.19 109.53 2k8i n GLY 69 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2k8i n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8i s GLN 70 N -0.10 3.77 -0.43 1.61 -1.52 -1.26 -0.73 119.66 121.01 2k8i s GLN 70 Ca 0.00 1.55 -0.18 0.00 -1.95 0.00 0.00 55.36 54.78 2k8i s GLN 70 Cb 0.00 -2.25 0.02 0.00 -0.22 0.00 0.00 33.01 30.56 2k8i s GLN 70 CO 0.00 -0.49 0.49 -0.47 -0.25 0.00 0.00 175.29 174.57 2k8i s TYR 71 N -1.75 3.14 -1.12 0.91 5.04 -1.26 -4.80 117.35 117.52 2k8i s TYR 71 Ca 0.65 -0.30 -0.18 0.00 -2.44 0.00 0.00 57.07 54.81 2k8i s TYR 71 Cb -0.22 -3.00 0.12 0.00 0.35 0.00 0.00 41.96 39.20 2k8i s TYR 71 CO 0.27 -0.74 1.41 -0.51 -1.34 0.00 0.00 175.55 174.64 2k8i s ASP 72 N 1.86 6.80 0.27 4.32 1.01 -1.26 -4.78 116.67 124.89 2k8i s ASP 72 Ca 0.15 -2.34 0.24 0.00 0.71 0.00 0.00 52.55 51.31 2k8i s ASP 72 Cb -0.16 -2.47 1.00 0.00 1.01 0.00 0.00 42.92 42.29 2k8i s ASP 72 CO 0.15 -1.06 1.73 -1.84 0.21 0.00 0.00 175.17 174.36 2k8i n GLU 73 N 7.06 0.21 0.00 8.23 0.28 -1.26 -1.18 120.64 133.98 2k8i n GLU 73 Ca 0.35 0.42 0.14 0.00 -0.16 0.00 0.00 57.16 57.91 2k8i n GLU 73 Cb 0.47 -1.90 0.57 0.00 1.43 0.00 0.00 31.44 32.01 2k8i n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2k8i n ASN 74 N -2.29 0.67 -0.00 -1.84 5.03 -1.26 -3.41 115.26 112.15 2k8i n ASN 74 Ca 0.02 -0.76 0.09 0.00 0.87 0.00 0.00 54.58 54.80 2k8i n ASN 74 Cb 0.25 -0.02 -0.11 0.00 -1.02 0.00 0.00 39.78 38.88 2k8i n ASN 74 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2k8i n LEU 75 N -0.78 0.84 -4.21 3.41 7.94 -0.32 -4.86 117.00 119.02 2k8i n LEU 75 Ca 0.15 -0.48 -0.34 0.00 -1.11 0.00 0.00 56.01 54.23 2k8i n LEU 75 Cb 0.29 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.09 2k8i n LEU 75 CO 0.23 0.21 -0.43 0.54 -1.11 0.00 0.00 177.39 176.83 2k8i s VAL 76 N -2.77 2.82 0.32 1.96 0.11 -1.15 -3.97 120.40 117.72 2k8i s VAL 76 Ca 0.06 -0.86 -0.18 0.00 -2.93 0.00 0.00 61.98 58.08 2k8i s VAL 76 Cb 0.14 -2.34 0.05 0.00 -1.53 0.00 0.00 36.38 32.71 2k8i s VAL 76 CO 0.76 0.34 0.83 0.00 -3.33 0.00 0.00 175.10 173.70 2k8i s GLN 77 N 1.36 1.94 -0.31 1.54 0.00 -0.97 -4.90 119.66 118.33 2k8i s GLN 77 Ca 0.03 -1.22 -0.05 0.00 -0.00 0.00 0.00 55.36 54.12 2k8i s GLN 77 Cb -0.15 0.57 0.03 0.00 0.00 0.00 0.00 33.01 33.46 2k8i s GLN 77 CO -0.06 -0.91 0.06 1.03 0.00 0.00 0.00 175.29 175.41 2k8i s ARG 78 N -2.61 2.70 -0.15 9.60 3.00 -1.26 -1.75 118.95 128.47 2k8i s ARG 78 Ca 0.16 -1.11 -0.05 0.00 0.00 0.00 0.00 55.73 54.72 2k8i s ARG 78 Cb -0.05 -3.33 -0.04 0.00 0.00 0.00 0.00 34.95 31.54 2k8i s ARG 78 CO 0.09 -0.58 0.03 0.08 0.00 0.00 0.00 175.30 174.92 2k8i s VAL 79 N 1.38 4.51 0.29 3.52 1.01 -0.90 -4.92 120.40 125.29 2k8i s VAL 79 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2k8i s VAL 79 Cb -0.19 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 2k8i s VAL 79 CO 0.01 0.52 1.58 -2.84 0.00 0.00 0.00 175.10 174.37 2k8i s PRO 80 N -0.06 4.13 0.50 2.72 0.02 -1.26 -1.33 135.00 139.73 2k8i s PRO 80 Ca 0.05 2.55 0.32 0.00 0.02 0.00 0.00 61.00 63.95 2k8i s PRO 80 Cb -0.12 -3.03 1.76 0.00 0.02 0.00 0.00 34.50 33.12 2k8i s PRO 80 CO 0.02 -0.62 1.99 0.87 -0.33 0.00 0.00 177.00 178.93 2k8i h LYS 81 N 4.91 0.00 0.00 5.54 1.57 -1.43 0.15 116.57 127.31 2k8i h LYS 81 Ca -0.47 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 2k8i h LYS 81 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2k8i h LYS 81 CO 0.80 0.00 -0.39 0.22 -0.57 0.00 0.00 179.45 179.51 2k8i h ASP 82 N 0.00 0.00 -0.18 0.86 3.58 -1.90 -2.94 116.42 115.84 2k8i h ASP 82 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2k8i h ASP 82 Cb 0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2k8i h ASP 82 CO 0.00 0.39 -0.26 0.58 -2.88 0.00 0.00 179.24 177.07 2k8i h VAL 83 N 0.00 1.27 -0.98 2.25 2.07 -1.06 -2.79 116.25 117.01 2k8i h VAL 83 Ca -0.00 -1.35 -0.67 0.00 0.82 0.00 0.00 66.70 65.50 2k8i h VAL 83 Cb 0.82 1.31 -0.30 0.00 -1.52 0.00 0.00 31.29 31.60 2k8i h VAL 83 CO 0.05 0.44 0.70 0.49 0.02 0.00 0.00 177.57 179.27 2k8i n PHE 84 N -4.10 3.19 0.23 1.57 3.72 -1.12 -4.70 117.46 116.25 2k8i n PHE 84 Ca -0.00 -2.95 0.18 0.00 -0.05 0.00 0.00 57.45 54.62 2k8i n PHE 84 Cb 0.44 -1.34 0.87 0.00 -0.94 0.00 0.00 39.48 38.50 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 2.02 0.00 -0.08 -1.08 -0.00 -1.40 0.20 114.93 114.58 2k8i h MET 85 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.28 2k8i h MET 85 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.48 2k8i h MET 85 CO 1.51 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 178.83 2k8i n GLY 86 N -1.35 -0.41 3.87 -3.00 0.00 -1.26 -4.85 105.19 98.19 2k8i n GLY 86 Ca 0.01 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2k8i n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k8i s VAL 87 N -1.90 4.87 0.00 1.61 1.01 0.06 -5.04 120.40 121.01 2k8i s VAL 87 Ca 0.28 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2k8i s VAL 87 Cb 0.14 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2k8i s VAL 87 CO 0.22 -0.09 0.86 -0.67 0.00 0.00 0.00 175.10 175.42 2k8i n ASP 88 N -0.17 0.00 -3.52 3.32 2.03 -1.26 -4.76 116.55 112.20 2k8i n ASP 88 Ca 0.01 0.91 -0.23 0.00 0.52 0.00 0.00 54.79 56.00 2k8i n ASP 88 Cb 0.53 -0.46 -0.14 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.64 0.18 -0.29 -0.67 2.02 -1.26 -5.09 118.70 110.95 2k8i s GLU 89 Ca 0.00 -0.14 -0.28 0.00 0.02 0.00 0.00 54.97 54.57 2k8i s GLU 89 Cb 0.00 -1.26 -0.05 0.00 0.10 0.00 0.00 34.13 32.92 2k8i s GLU 89 CO 0.00 -0.83 2.27 -0.51 0.02 0.00 0.00 175.26 176.21 2k8i s LEU 90 N 2.22 3.43 0.29 1.80 1.43 -1.26 -4.92 118.68 121.66 2k8i s LEU 90 Ca 0.07 1.68 0.04 0.00 -1.03 0.00 0.00 54.13 54.90 2k8i s LEU 90 Cb -0.16 -3.27 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2k8i s LEU 90 CO -0.22 -2.19 0.01 -1.58 0.23 0.00 0.00 176.35 172.60 2k8i s GLN 91 N 6.83 1.54 0.28 1.70 0.74 -1.26 -4.94 119.66 124.56 2k8i s GLN 91 Ca 1.00 -1.82 -0.29 0.00 0.05 0.00 0.00 55.36 54.30 2k8i s GLN 91 Cb -0.29 -0.88 -0.09 0.00 1.10 0.00 0.00 33.01 32.85 2k8i s GLN 91 CO 0.33 -0.11 1.07 0.08 -0.55 0.00 0.00 175.29 176.11 2k8i s VAL 92 N -3.26 3.59 0.00 1.34 1.01 -1.26 -3.06 120.40 118.76 2k8i s VAL 92 Ca 0.33 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2k8i s VAL 92 Cb 0.07 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2k8i s VAL 92 CO 0.13 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2k8i n GLY 93 N 1.18 0.76 3.77 4.51 0.00 0.15 -4.99 105.19 110.57 2k8i n GLY 93 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.45 4.29 -0.08 1.61 -1.94 -1.17 -4.85 119.30 116.71 2k8i s MET 94 Ca 0.00 0.71 0.03 0.00 -1.71 0.00 0.00 55.69 54.72 2k8i s MET 94 Cb 0.00 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.49 2k8i s MET 94 CO 0.00 0.40 -0.17 1.03 -0.01 0.00 0.00 175.02 176.27 2k8i s ARG 95 N -0.30 2.80 0.17 2.03 0.52 -1.26 -1.52 118.95 121.39 2k8i s ARG 95 Ca 0.30 -0.75 -0.24 0.00 -0.52 0.00 0.00 55.73 54.52 2k8i s ARG 95 Cb -0.18 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 32.95 2k8i s ARG 95 CO 0.17 0.42 0.84 -0.59 0.02 0.00 0.00 175.30 176.16 2k8i s PHE 96 N -0.22 -0.22 -0.03 -0.53 -0.12 -1.20 -5.07 117.98 110.58 2k8i s PHE 96 Ca -0.00 -0.09 -0.26 0.00 -0.05 0.00 0.00 56.93 56.53 2k8i s PHE 96 Cb -0.13 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 2k8i s PHE 96 CO 0.03 -0.90 0.79 -1.17 -0.05 0.00 0.00 175.22 173.92 2k8i s LEU 97 N -2.85 4.35 -0.01 -1.99 2.96 -1.26 -2.83 118.68 117.05 2k8i s LEU 97 Ca 0.10 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.41 2k8i s LEU 97 Cb -0.03 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 2k8i s LEU 97 CO 0.00 -0.14 -0.12 0.00 -1.32 0.00 0.00 176.35 174.77 2k8i s ALA 98 N 0.75 2.80 -0.06 5.97 0.00 -0.50 -4.91 121.76 125.82 2k8i s ALA 98 Ca 0.42 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2k8i s ALA 98 Cb -0.19 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 2k8i s ALA 98 CO 0.22 0.58 0.52 -1.21 0.00 0.00 0.00 175.76 175.87 2k8i s GLU 99 N -1.15 4.29 0.20 0.00 2.02 -1.26 0.86 118.70 123.65 2k8i s GLU 99 Ca 0.14 0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.71 2k8i s GLU 99 Cb -0.11 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2k8i s GLU 99 CO 0.04 0.29 0.26 0.25 0.02 0.00 0.00 175.26 176.12 2k8i n THR 100 N 3.12 0.00 0.15 3.63 -2.24 -0.81 -4.93 114.28 113.20 2k8i n THR 100 Ca -0.07 -1.12 0.01 0.00 -2.27 0.00 0.00 64.05 60.59 2k8i n THR 100 Cb 0.51 0.66 0.31 0.00 -2.10 0.00 0.00 70.33 69.71 2k8i n THR 100 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2k8i h ASP 101 N 1.16 0.09 -0.26 3.42 3.58 -1.98 -2.79 116.42 119.65 2k8i h ASP 101 Ca -0.15 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.18 2k8i h ASP 101 Cb 0.70 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 2k8i h ASP 101 CO 0.21 0.46 0.10 0.00 -2.88 0.00 0.00 179.24 177.13 2k8i n GLN 102 N -4.08 1.92 -0.03 0.28 1.13 -1.26 -5.00 117.38 110.35 2k8i n GLN 102 Ca -0.02 -1.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.01 2k8i n GLN 102 Cb 0.42 -1.60 -0.00 0.00 0.11 0.00 0.00 30.24 29.17 2k8i n GLN 102 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k8i n GLY 103 N 0.09 -2.02 3.70 1.08 0.00 -1.05 -4.77 105.19 102.22 2k8i n GLY 103 Ca 0.14 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.41 2.62 -3.90 1.61 -0.02 -1.26 -1.93 135.00 131.71 2k8i n PRO 104 Ca 0.00 0.95 -0.28 0.00 -2.02 0.00 0.00 63.50 62.15 2k8i n PRO 104 Cb 0.01 -2.79 -0.17 0.00 -0.02 0.00 0.00 33.50 30.54 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 1.57 1.12 -0.55 -1.45 1.01 0.25 -4.90 120.40 117.45 2k8i s VAL 105 Ca 0.78 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 2k8i s VAL 105 Cb -0.55 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2k8i s VAL 105 CO 0.35 0.19 1.76 -2.84 0.00 0.00 0.00 175.10 174.57 2k8i s PRO 106 N 1.64 2.88 0.45 2.72 0.02 -1.26 -1.40 135.00 140.04 2k8i s PRO 106 Ca 0.02 0.72 0.05 0.00 0.02 0.00 0.00 61.00 61.81 2k8i s PRO 106 Cb -0.15 -4.30 -0.05 0.00 0.02 0.00 0.00 34.50 30.02 2k8i s PRO 106 CO -0.08 -2.43 0.06 0.14 -0.33 0.00 0.00 177.00 174.36 2k8i s VAL 107 N 8.11 1.80 -0.04 3.83 -7.23 -1.13 -4.92 120.40 120.81 2k8i s VAL 107 Ca 0.66 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2k8i s VAL 107 Cb -0.14 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.10 2k8i s VAL 107 CO 0.24 0.00 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.26 2k8i s GLU 108 N -3.82 1.00 0.09 4.82 2.12 -1.26 -3.27 118.70 118.38 2k8i s GLU 108 Ca 0.28 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.09 2k8i s GLU 108 Cb 0.06 -0.93 -0.08 0.00 0.26 0.00 0.00 34.13 33.44 2k8i s GLU 108 CO 0.15 -0.01 1.42 0.42 -0.54 0.00 0.00 175.26 176.70 2k8i s ILE 109 N 0.66 3.33 -0.94 -3.70 1.01 -0.58 -1.56 121.20 119.42 2k8i s ILE 109 Ca -0.10 0.91 0.08 0.00 0.00 0.00 0.00 60.65 61.53 2k8i s ILE 109 Cb -0.13 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.82 2k8i s ILE 109 CO 0.01 0.05 0.75 0.35 0.00 0.00 0.00 174.94 176.10 2k8i n THR 110 N 4.16 0.03 -3.61 2.92 -2.24 0.19 0.34 114.28 116.08 2k8i n THR 110 Ca 0.12 -0.52 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 2k8i n THR 110 Cb 0.42 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.65 -2.07 -0.22 6.98 0.00 -1.13 -4.89 121.76 119.79 2k8i s ALA 111 Ca 0.09 1.74 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 2k8i s ALA 111 Cb 0.06 -0.89 0.08 0.00 0.00 0.00 0.00 23.12 22.37 2k8i s ALA 111 CO 0.10 -0.37 0.12 0.08 0.00 0.00 0.00 175.76 175.69 2k8i s VAL 112 N -1.48 -0.12 0.27 0.00 1.01 -1.26 0.08 120.40 118.89 2k8i s VAL 112 Ca 0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2k8i s VAL 112 Cb -0.01 -0.73 0.06 0.00 0.00 0.00 0.00 36.38 35.70 2k8i s VAL 112 CO -0.05 -0.43 0.35 -0.62 0.00 0.00 0.00 175.10 174.35 2k8i n GLU 113 N 5.28 -0.49 -0.02 2.72 -0.58 0.81 -4.97 120.64 123.39 2k8i n GLU 113 Ca -0.06 -0.54 -0.13 0.00 -0.42 0.00 0.00 57.16 56.01 2k8i n GLU 113 Cb 0.47 -0.37 -0.08 0.00 -0.57 0.00 0.00 31.44 30.88 2k8i n GLU 113 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2k8i h ASP 114 N -0.58 0.10 0.00 1.62 3.58 -2.02 -3.35 116.42 115.77 2k8i h ASP 114 Ca -0.11 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2k8i h ASP 114 Cb 0.32 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2k8i h ASP 114 CO 0.08 0.44 -1.19 0.47 -2.88 0.00 0.00 179.24 176.16 2k8i n ASP 115 N -4.84 0.95 -3.89 2.28 8.00 -1.26 -4.97 116.55 112.82 2k8i n ASP 115 Ca -0.07 -0.50 -0.11 0.00 0.71 0.00 0.00 54.79 54.82 2k8i n ASP 115 Cb 0.22 1.33 -0.10 0.00 -0.02 0.00 0.00 41.12 42.54 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 -2.79 0.07 0.40 1.24 -3.43 -1.26 -1.05 115.29 108.47 2k8i s HIS 116 Ca 0.01 -0.18 0.08 0.00 -0.80 0.00 0.00 55.06 54.16 2k8i s HIS 116 Cb 0.11 -0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.18 2k8i s HIS 116 CO 0.67 -0.25 0.42 0.14 -2.00 0.00 0.00 174.74 173.73 2k8i s VAL 117 N -1.27 2.99 -0.14 -5.38 -7.23 -0.44 -0.14 120.40 108.79 2k8i s VAL 117 Ca -0.14 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 2k8i s VAL 117 Cb -0.08 -3.06 0.02 0.00 0.56 0.00 0.00 36.38 33.83 2k8i s VAL 117 CO 0.01 -0.04 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.91 2k8i s VAL 118 N -2.39 1.63 -0.10 1.32 1.01 0.11 -2.13 120.40 119.85 2k8i s VAL 118 Ca 0.48 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2k8i s VAL 118 Cb -0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2k8i s VAL 118 CO 0.29 0.47 -0.16 0.68 0.00 0.00 0.00 175.10 176.38 2k8i s VAL 119 N 1.26 2.80 -0.23 2.92 -7.23 -0.72 0.57 120.40 119.77 2k8i s VAL 119 Ca 0.00 -0.78 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 2k8i s VAL 119 Cb -0.14 -2.13 0.10 0.00 0.56 0.00 0.00 36.38 34.78 2k8i s VAL 119 CO -0.07 0.55 0.21 -0.62 -0.31 0.00 0.00 175.10 174.86 2k8i s ASP 120 N 0.01 1.81 -0.09 4.85 -1.08 -0.60 -2.28 116.67 119.28 2k8i s ASP 120 Ca -0.05 -0.50 0.18 0.00 -0.52 0.00 0.00 52.55 51.65 2k8i s ASP 120 Cb -0.15 0.25 0.64 0.00 -1.46 0.00 0.00 42.92 42.20 2k8i s ASP 120 CO 0.05 -0.36 1.55 0.61 0.52 0.00 0.00 175.17 177.54 2k8i n GLY 121 N 5.30 2.87 3.74 2.66 0.00 -1.25 -4.52 105.19 113.99 2k8i n GLY 121 Ca -0.05 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.04 4.50 -0.10 1.61 2.20 -1.26 -5.03 114.94 115.82 2k8i s ASN 122 Ca 0.46 -1.00 -0.01 0.00 -0.94 0.00 0.00 52.86 51.37 2k8i s ASN 122 Cb 0.30 -0.53 -0.03 0.00 -2.00 0.00 0.00 41.25 38.99 2k8i s ASN 122 CO 0.23 -0.49 -0.04 -1.00 -2.94 0.00 0.00 177.10 172.85 2k8i s HIS 123 N -2.56 3.02 -1.43 1.54 3.76 -1.26 -4.99 115.29 113.37 2k8i s HIS 123 Ca 0.41 -0.06 0.06 0.00 -0.15 0.00 0.00 55.06 55.32 2k8i s HIS 123 Cb 0.02 -1.82 0.32 0.00 1.11 0.00 0.00 32.58 32.22 2k8i s HIS 123 CO 0.23 0.22 1.05 0.00 -0.85 0.00 0.00 174.74 175.40 2k8i n MET 124 N 2.69 0.09 -0.10 1.40 0.00 -1.26 -1.18 117.12 118.76 2k8i n MET 124 Ca -0.18 0.22 0.02 0.00 0.00 0.00 0.00 57.70 57.77 2k8i n MET 124 Cb 0.53 -1.50 0.07 0.00 0.00 0.00 0.00 33.22 32.32 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 -1.28 1.01 -4.80 3.17 4.32 -1.26 -4.87 117.00 113.29 2k8i n LEU 125 Ca 0.03 -0.51 -0.35 0.00 -0.02 0.00 0.00 56.01 55.17 2k8i n LEU 125 Cb 0.05 -0.17 -0.05 0.00 -1.62 0.00 0.00 43.42 41.63 2k8i n LEU 125 CO 0.05 0.23 0.69 0.00 -1.22 0.00 0.00 177.39 177.14 2k8i s ALA 126 N -1.73 3.02 0.00 -1.18 0.00 -0.33 -3.93 121.76 117.62 2k8i s ALA 126 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2k8i s ALA 126 Cb 0.06 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2k8i s ALA 126 CO 0.07 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2k8i n GLY 127 N -0.13 2.23 3.78 0.00 0.00 0.09 -4.83 105.19 106.32 2k8i n GLY 127 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.00 2.09 0.34 1.61 -0.21 -1.25 -4.81 119.66 117.43 2k8i s GLN 128 Ca 0.00 0.85 0.03 0.00 0.02 0.00 0.00 55.36 56.26 2k8i s GLN 128 Cb 0.00 -1.90 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 2k8i s GLN 128 CO 0.00 -1.67 0.51 -0.80 -2.12 0.00 0.00 175.29 171.21 2k8i s ASN 129 N -3.67 6.10 0.04 5.90 0.02 -1.26 -3.81 114.94 118.26 2k8i s ASN 129 Ca 0.61 0.15 0.06 0.00 -1.02 0.00 0.00 52.86 52.66 2k8i s ASN 129 Cb -0.16 -1.65 -0.02 0.00 0.02 0.00 0.00 41.25 39.44 2k8i s ASN 129 CO 0.55 -0.38 -0.16 -0.76 0.02 0.00 0.00 177.10 176.37 2k8i s LEU 130 N -4.26 2.18 -0.13 0.60 1.43 -0.78 -3.35 118.68 114.37 2k8i s LEU 130 Ca 0.42 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2k8i s LEU 130 Cb -0.10 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.39 2k8i s LEU 130 CO 0.33 0.07 -0.18 -0.54 0.23 0.00 0.00 176.35 176.27 2k8i s LYS 131 N -1.20 3.20 -0.07 1.70 1.02 0.16 -1.47 119.74 123.08 2k8i s LYS 131 Ca 0.04 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.30 2k8i s LYS 131 Cb -0.08 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 2k8i s LYS 131 CO 0.02 0.14 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.28 2k8i s PHE 132 N 0.49 2.49 -0.39 3.18 0.08 0.10 -0.08 117.98 123.85 2k8i s PHE 132 Ca -0.12 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 56.01 2k8i s PHE 132 Cb -0.16 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2k8i s PHE 132 CO 0.05 -0.27 0.24 -0.80 -0.10 0.00 0.00 175.22 174.34 2k8i s ASN 133 N -0.02 5.77 -0.05 1.36 0.02 -0.04 0.75 114.94 122.73 2k8i s ASN 133 Ca -0.08 -1.12 -0.07 0.00 -1.02 0.00 0.00 52.86 50.57 2k8i s ASN 133 Cb -0.15 -2.04 -0.04 0.00 0.02 0.00 0.00 41.25 39.04 2k8i s ASN 133 CO 0.05 -0.44 0.21 -0.69 0.02 0.00 0.00 177.10 176.25 2k8i s VAL 134 N 1.54 5.39 -0.42 1.60 1.01 -0.02 -1.59 120.40 127.92 2k8i s VAL 134 Ca 0.02 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2k8i s VAL 134 Cb -0.20 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.81 2k8i s VAL 134 CO 0.06 0.49 0.22 -1.61 0.00 0.00 0.00 175.10 174.26 2k8i s GLU 135 N -1.42 1.16 -0.22 2.72 2.02 0.24 -2.36 118.70 120.84 2k8i s GLU 135 Ca 0.22 -1.85 -0.29 0.00 0.02 0.00 0.00 54.97 53.07 2k8i s GLU 135 Cb -0.13 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2k8i s GLU 135 CO 0.11 -1.15 1.67 0.54 0.02 0.00 0.00 175.26 176.45 2k8i s VAL 136 N 0.55 3.63 -0.04 2.63 0.11 -0.91 -0.19 120.40 126.18 2k8i s VAL 136 Ca 0.17 0.70 -0.24 0.00 -2.93 0.00 0.00 61.98 59.67 2k8i s VAL 136 Cb -0.24 -3.65 -0.19 0.00 -1.53 0.00 0.00 36.38 30.77 2k8i s VAL 136 CO -0.02 -0.29 1.08 0.58 -3.33 0.00 0.00 175.10 173.13 2k8i h VAL 137 N 6.22 1.18 -2.94 2.04 2.07 -0.50 0.23 116.25 124.56 2k8i h VAL 137 Ca -0.34 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 2k8i h VAL 137 Cb 1.16 1.93 -0.13 0.00 -1.52 0.00 0.00 31.29 32.73 2k8i h VAL 137 CO 1.00 0.29 0.14 0.00 0.02 0.00 0.00 177.57 179.02 2k8i s ALA 138 N -3.92 -1.48 -0.02 1.67 0.00 -0.42 -4.51 121.76 113.09 2k8i s ALA 138 Ca -0.15 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2k8i s ALA 138 Cb 0.01 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.86 2k8i s ALA 138 CO 0.60 -0.68 -0.02 0.42 0.00 0.00 0.00 175.76 176.08 2k8i s ILE 139 N -3.37 0.24 -0.20 0.00 1.01 -1.26 -0.72 121.20 116.91 2k8i s ILE 139 Ca -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 2k8i s ILE 139 Cb -0.00 -0.27 0.05 0.00 0.01 0.00 0.00 42.46 42.25 2k8i s ILE 139 CO -0.09 0.12 0.52 -0.60 0.00 0.00 0.00 174.94 174.88 2k8i s ARG 140 N 0.49 0.59 -0.04 2.79 3.52 0.70 -5.00 118.95 122.01 2k8i s ARG 140 Ca -0.05 0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 2k8i s ARG 140 Cb -0.08 0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.53 2k8i s ARG 140 CO -0.01 -0.08 1.42 -1.83 -0.81 0.00 0.00 175.30 173.99 2k8i s GLU 141 N 0.40 4.26 1.00 5.12 -1.05 -1.26 -0.50 118.70 126.65 2k8i s GLU 141 Ca -0.01 1.95 -0.11 0.00 -0.15 0.00 0.00 54.97 56.65 2k8i s GLU 141 Cb -0.04 -3.68 0.19 0.00 -0.44 0.00 0.00 34.13 30.16 2k8i s GLU 141 CO -0.01 -0.65 1.09 0.00 0.95 0.00 0.00 175.26 176.65 2k8i s ALA 142 N 2.89 0.81 -0.37 -0.84 0.00 -1.14 -4.84 121.76 118.27 2k8i s ALA 142 Ca 0.64 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.88 2k8i s ALA 142 Cb -0.30 -3.32 0.65 0.00 0.00 0.00 0.00 23.12 20.15 2k8i s ALA 142 CO 0.25 -3.04 1.71 0.25 0.00 0.00 0.00 175.76 174.93 2k8i n THR 143 N -4.39 2.71 0.00 0.00 -2.24 -1.26 -4.87 114.28 104.22 2k8i n THR 143 Ca 0.08 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 2k8i n THR 143 Cb 0.53 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.24 0.00 -0.02 -0.78 1.02 -1.26 -4.65 120.64 114.72 2k8i n GLU 144 Ca 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.42 2k8i n GLU 144 Cb 1.33 -0.37 -0.06 0.00 -0.02 0.00 0.00 31.44 32.32 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 0.16 -0.97 3.49 5.08 -1.98 0.28 114.58 120.64 2k8i h GLU 145 Ca 0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2k8i h GLU 145 Cb 0.00 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 2k8i h GLU 145 CO 0.00 0.21 0.62 0.93 -1.00 0.00 0.00 179.01 179.77 2k8i h GLU 146 N 0.07 0.98 -0.12 2.33 3.07 -1.83 0.24 114.58 119.33 2k8i h GLU 146 Ca 0.04 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2k8i h GLU 146 Cb 0.10 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 2k8i h GLU 146 CO -0.01 0.65 -0.07 -0.07 -1.40 0.00 0.00 179.01 178.11 2k8i h LEU 147 N 1.01 0.28 -1.48 1.33 3.38 -1.67 0.57 115.31 118.72 2k8i h LEU 147 Ca 0.46 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k8i h LEU 147 Cb 0.39 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2k8i h LEU 147 CO -0.22 0.65 0.36 0.00 0.09 0.00 0.00 178.44 179.32 2k8i h ALA 148 N 0.64 1.65 0.00 1.53 0.00 0.24 -2.08 119.26 121.23 2k8i h ALA 148 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k8i h ALA 148 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k8i h ALA 148 CO 0.02 0.31 -0.44 0.45 0.00 0.00 0.00 179.25 179.59 2k8i h HIS 149 N 0.70 0.00 0.00 0.00 3.86 -0.36 -3.47 115.15 115.88 2k8i h HIS 149 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2k8i h HIS 149 Cb -0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2k8i h HIS 149 CO -0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2k8i n GLY 150 N 1.16 0.55 3.72 2.45 0.00 0.09 -4.96 105.19 108.20 2k8i n GLY 150 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.01 0.01 1.61 -3.43 -0.60 -4.89 115.29 105.98 2k8i s HIS 151 Ca 0.00 -0.07 -0.12 0.00 -0.80 0.00 0.00 55.06 54.08 2k8i s HIS 151 Cb 0.00 0.54 -0.06 0.00 -1.43 0.00 0.00 32.58 31.62 2k8i s HIS 151 CO 0.00 -0.20 0.90 0.28 -2.00 0.00 0.00 174.74 173.72 2k8i h VAL 152 N 2.00 0.00 -5.24 -5.38 2.07 -1.80 -3.40 116.25 104.50 2k8i h VAL 152 Ca -0.29 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2k8i h VAL 152 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2k8i h VAL 152 CO 0.30 0.00 -0.84 1.57 0.02 0.00 0.00 177.57 178.61 2k8i n HIS 153 N -3.44 -3.73 0.00 1.57 -0.00 -1.26 -4.67 115.22 103.69 2k8i n HIS 153 Ca -0.05 1.61 0.00 0.00 -0.00 0.00 0.00 57.72 59.28 2k8i n HIS 153 Cb 0.16 -3.94 0.00 0.00 -0.00 0.00 0.00 29.99 26.21 2k8i n HIS 153 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k8i n GLY 154 N 0.39 -0.98 0.27 1.57 0.00 -1.18 -5.01 105.19 100.25 2k8i n GLY 154 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.19 0.97 4.61 0.00 -1.26 -4.51 120.51 121.52 2k8i n ALA 155 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.50 2k8i n ALA 155 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.04 2k8i n ALA 155 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2k8i n HIS 156 N -2.00 0.07 -3.31 0.00 1.44 -1.26 -4.06 115.22 106.10 2k8i n HIS 156 Ca 0.00 0.02 -0.26 0.00 -2.01 0.00 0.00 57.72 55.47 2k8i n HIS 156 Cb 0.00 -0.52 -0.07 0.00 0.12 0.00 0.00 29.99 29.51 2k8i n HIS 156 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2k8i n ASP 157 N -1.56 2.36 -0.01 4.39 5.75 -1.26 -4.84 116.55 121.39 2k8i n ASP 157 Ca 0.07 -3.16 0.01 0.00 -0.01 0.00 0.00 54.79 51.70 2k8i n ASP 157 Cb 0.35 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 2k8i n ASP 157 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2k8i n HIS 158 N 1.02 0.00 -3.81 2.11 -0.00 -1.26 -3.07 115.22 110.21 2k8i n HIS 158 Ca 0.26 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.32 2k8i n HIS 158 Cb 0.46 -0.10 -0.11 0.00 -0.12 0.00 0.00 29.99 30.12 2k8i n HIS 158 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k8i s HIS 159 N -2.18 -0.18 -0.19 1.57 -3.43 -1.26 -5.05 115.29 104.58 2k8i s HIS 159 Ca -0.01 0.39 -0.28 0.00 -0.80 0.00 0.00 55.06 54.37 2k8i s HIS 159 Cb 0.02 0.06 -0.00 0.00 -1.43 0.00 0.00 32.58 31.22 2k8i s HIS 159 CO 0.13 -0.20 0.95 -1.01 -2.00 0.00 0.00 174.74 172.61 2k8i s HIS 160 N -0.44 3.39 0.00 0.38 0.09 -1.26 -4.69 115.29 112.76 2k8i s HIS 160 Ca -0.05 1.40 0.00 0.00 -0.00 0.00 0.00 55.06 56.40 2k8i s HIS 160 Cb -0.04 -3.16 0.00 0.00 -0.00 0.00 0.00 32.58 29.39 2k8i s HIS 160 CO 0.01 -0.35 0.00 -3.47 -0.00 0.00 0.00 174.74 170.93 2k8i n ASP 161 N 5.72 0.00 0.20 1.40 2.03 -1.26 -4.91 116.55 119.73 2k8i n ASP 161 Ca 0.09 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.47 2k8i n ASP 161 Cb 0.47 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.22 2k8i n ASP 161 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2k8i h HIS 162 N 0.00 0.00 -3.42 -0.67 3.86 -2.02 -3.42 115.15 109.48 2k8i h HIS 162 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2k8i h HIS 162 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2k8i h HIS 162 CO 0.00 0.30 0.13 0.16 0.86 0.00 0.00 177.93 179.38 2k8i s ASP 163 N -6.29 7.20 -0.31 2.45 -4.77 -1.26 -4.96 116.67 108.74 2k8i s ASP 163 Ca 0.01 1.43 0.17 0.00 -3.30 0.00 0.00 52.55 50.87 2k8i s ASP 163 Cb 0.10 -2.45 0.45 0.00 -1.09 0.00 0.00 42.92 39.93 2k8i s ASP 163 CO 0.67 0.07 1.34 0.00 0.70 0.00 0.00 175.17 177.95 2k8i n HIS 164 N 2.55 -0.59 -1.59 2.11 1.44 -1.26 -5.09 115.22 112.78 2k8i n HIS 164 Ca -0.04 -1.93 -0.43 0.00 -2.01 0.00 0.00 57.72 53.30 2k8i n HIS 164 Cb 0.50 0.76 -0.03 0.00 0.12 0.00 0.00 29.99 31.33 2k8i n HIS 164 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2k8i n ASP 165 N -1.08 3.25 -1.72 4.39 2.03 -1.26 -4.81 116.55 117.35 2k8i n ASP 165 Ca -0.06 0.26 -0.17 0.00 0.52 0.00 0.00 54.79 55.34 2k8i n ASP 165 Cb 0.84 -1.54 0.14 0.00 -0.72 0.00 0.00 41.12 39.84 2k8i n ASP 165 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2k8i n HIS 166 N 11.30 2.13 -0.09 -0.67 8.25 -1.26 -4.40 115.22 130.49 2k8i n HIS 166 Ca 0.30 -2.07 -0.16 0.00 -0.26 0.00 0.00 57.72 55.54 2k8i n HIS 166 Cb 0.43 -0.72 -0.14 0.00 1.12 0.00 0.00 29.99 30.68 2k8i n HIS 166 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k8i n HIS 167 N -1.00 0.32 -2.92 4.41 8.25 -1.26 -5.06 115.22 117.95 2k8i n HIS 167 Ca 0.45 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.90 2k8i n HIS 167 Cb 1.03 -1.05 0.01 0.00 1.12 0.00 0.00 29.99 31.11 2k8i n HIS 167 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k8i n HIS 168 N -3.16 -3.39 -0.72 4.41 8.25 -1.26 -4.81 115.22 114.54 2k8i n HIS 168 Ca -0.38 1.36 -0.06 0.00 -0.26 0.00 0.00 57.72 58.39 2k8i n HIS 168 Cb 1.05 -3.94 -0.08 0.00 1.12 0.00 0.00 29.99 28.14 2k8i n HIS 168 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k8i n HIS 169 N -0.45 0.00 -3.65 4.41 -0.00 -1.26 -4.60 115.22 109.67 2k8i n HIS 169 Ca 0.09 -1.20 -0.05 0.00 0.46 0.00 0.00 57.72 57.02 2k8i n HIS 169 Cb 0.48 -1.03 -0.07 0.00 -0.12 0.00 0.00 29.99 29.25 2k8i n HIS 169 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k8i s HIS 170 N 0.60 -1.09 -1.94 1.57 5.04 -1.26 -5.31 115.29 112.90 2k8i s HIS 170 Ca 0.33 2.03 0.00 0.00 -1.54 0.00 0.00 55.06 55.87 2k8i s HIS 170 Cb 0.16 0.61 0.00 0.00 0.04 0.00 0.00 32.58 33.39 2k8i s HIS 170 CO 0.00 -0.56 0.49 1.58 -2.34 0.00 0.00 174.74 173.91