#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe8 s VAL 2 N 0.00 4.45 -0.28 2.53 1.01 -1.26 -4.12 120.40 122.73 1fe8 s VAL 2 Ca 0.00 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 63.17 1fe8 s VAL 2 Cb 0.00 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.88 1fe8 s VAL 2 CO 0.00 -0.28 0.85 -0.75 0.00 0.00 0.00 175.10 174.92 1fe8 s LYS 3 N -3.12 0.58 -0.06 2.72 2.20 -0.09 -4.97 119.74 117.01 1fe8 s LYS 3 Ca 0.60 0.89 0.02 0.00 -0.36 0.00 0.00 55.97 57.12 1fe8 s LYS 3 Cb -0.09 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1fe8 s LYS 3 CO 0.14 -0.10 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.42 1fe8 s LEU 4 N 1.07 1.58 -0.09 5.43 1.02 -1.26 -0.58 118.68 125.86 1fe8 s LEU 4 Ca -0.06 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 53.87 1fe8 s LEU 4 Cb -0.05 -0.71 0.01 0.00 0.02 0.00 0.00 46.19 45.46 1fe8 s LEU 4 CO -0.12 0.02 -0.15 -0.69 0.02 0.00 0.00 176.35 175.42 1fe8 s VAL 5 N 0.67 1.42 -0.12 -1.59 1.01 -0.52 -3.78 120.40 117.49 1fe8 s VAL 5 Ca -0.13 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1fe8 s VAL 5 Cb -0.15 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1fe8 s VAL 5 CO 0.03 0.42 0.34 -1.10 0.00 0.00 0.00 175.10 174.78 1fe8 s GLN 6 N 0.82 4.15 -0.33 2.72 1.11 -1.26 -1.01 119.66 125.87 1fe8 s GLN 6 Ca -0.11 0.20 -0.03 0.00 0.01 0.00 0.00 55.36 55.43 1fe8 s GLN 6 Cb -0.16 -3.37 0.06 0.00 -1.01 0.00 0.00 33.01 28.53 1fe8 s GLN 6 CO 0.01 0.34 0.06 -1.12 0.01 0.00 0.00 175.29 174.60 1fe8 s SER 7 N 0.11 5.05 0.38 5.90 0.01 0.16 -4.81 113.70 120.50 1fe8 s SER 7 Ca 0.19 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 56.10 1fe8 s SER 7 Cb -0.14 -1.77 -0.06 0.00 0.21 0.00 0.00 66.02 64.26 1fe8 s SER 7 CO 0.07 -0.33 0.04 -0.83 0.41 0.00 0.00 173.24 172.60 1fe8 s GLY 8 N 1.40 2.38 -0.07 3.44 0.00 -1.26 -1.51 107.32 111.70 1fe8 s GLY 8 Ca -0.02 -1.89 -0.24 0.00 0.00 0.00 0.00 44.72 42.57 1fe8 s GLY 8 CO -0.01 -1.96 0.89 -0.56 0.00 0.00 0.00 173.10 171.46 1fe8 h PRO 9 N 1.88 -0.08 0.00 2.90 0.13 -1.91 -3.49 132.00 131.43 1fe8 h PRO 9 Ca -0.42 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1fe8 h PRO 9 Cb 1.25 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1fe8 h PRO 9 CO 0.73 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 1fe8 n GLY 10 N 0.89 2.48 3.28 1.56 0.00 -1.26 -5.01 105.19 107.13 1fe8 n GLY 10 Ca -0.08 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1fe8 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fe8 s LEU 11 N 0.00 2.11 -0.03 0.99 2.96 -1.26 0.99 118.68 124.44 1fe8 s LEU 11 Ca 0.00 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1fe8 s LEU 11 Cb 0.00 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.34 1fe8 s LEU 11 CO 0.00 0.26 0.07 -0.69 -1.32 0.00 0.00 176.35 174.67 1fe8 s VAL 12 N -0.22 -0.04 0.24 1.68 1.01 0.11 -4.94 120.40 118.23 1fe8 s VAL 12 Ca -0.02 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1fe8 s VAL 12 Cb -0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 36.38 36.01 1fe8 s VAL 12 CO 0.03 0.07 1.51 0.00 0.00 0.00 0.00 175.10 176.71 1fe8 s ALA 13 N 0.89 3.70 0.00 5.51 0.00 -1.26 -1.67 121.76 128.94 1fe8 s ALA 13 Ca -0.07 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1fe8 s ALA 13 Cb -0.10 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1fe8 s ALA 13 CO -0.03 -0.81 0.42 -2.30 0.00 0.00 0.00 175.76 173.04 1fe8 n PRO 14 N 2.76 0.00 -2.92 0.00 -0.02 -1.26 -2.49 135.00 131.07 1fe8 n PRO 14 Ca 0.09 0.42 -0.44 0.00 -2.02 0.00 0.00 63.50 61.55 1fe8 n PRO 14 Cb 0.39 -0.65 -0.03 0.00 -0.02 0.00 0.00 33.50 33.19 1fe8 n PRO 14 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1fe8 s SER 15 N -2.69 6.54 0.04 2.55 0.01 -1.26 -2.99 113.70 115.90 1fe8 s SER 15 Ca 0.00 -1.86 -0.07 0.00 1.31 0.00 0.00 55.95 55.33 1fe8 s SER 15 Cb 0.00 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.86 1fe8 s SER 15 CO 0.00 -1.13 0.35 1.67 0.41 0.00 0.00 173.24 174.54 1fe8 n GLN 16 N 6.74 0.16 -4.40 12.44 7.27 -1.04 -4.96 117.38 133.58 1fe8 n GLN 16 Ca 0.19 -0.39 -0.24 0.00 0.07 0.00 0.00 57.00 56.63 1fe8 n GLN 16 Cb 0.48 0.55 -0.11 0.00 2.41 0.00 0.00 30.24 33.58 1fe8 n GLN 16 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1fe8 s SER 17 N -1.80 3.19 -0.15 1.69 1.04 -1.26 -2.61 113.70 113.80 1fe8 s SER 17 Ca 0.08 -0.92 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 1fe8 s SER 17 Cb -0.01 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 1fe8 s SER 17 CO 0.01 0.03 -0.10 -0.22 0.98 0.00 0.00 173.24 173.95 1fe8 s LEU 18 N -2.94 2.85 -0.09 2.42 2.96 0.36 -4.96 118.68 119.29 1fe8 s LEU 18 Ca 0.22 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1fe8 s LEU 18 Cb -0.06 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.98 1fe8 s LEU 18 CO 0.10 0.14 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.72 1fe8 s SER 19 N 0.53 1.96 -0.01 3.68 0.01 -1.26 -0.58 113.70 118.04 1fe8 s SER 19 Ca -0.07 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 56.93 1fe8 s SER 19 Cb -0.15 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 1fe8 s SER 19 CO 0.04 -0.04 -0.13 -0.63 0.41 0.00 0.00 173.24 172.89 1fe8 s ILE 20 N 1.14 1.02 -0.09 1.44 1.01 -0.77 -4.38 121.20 120.55 1fe8 s ILE 20 Ca -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1fe8 s ILE 20 Cb -0.14 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 1fe8 s ILE 20 CO -0.02 0.26 -0.10 -0.89 0.00 0.00 0.00 174.94 174.19 1fe8 s THR 21 N -0.36 3.41 -0.25 2.92 2.01 -0.57 -1.17 115.64 121.64 1fe8 s THR 21 Ca 0.05 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1fe8 s THR 21 Cb -0.05 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 70.07 1fe8 s THR 21 CO -0.00 0.56 -0.05 0.00 -0.69 0.00 0.00 174.62 174.44 1fe8 s THR 23 N 1.35 5.16 0.13 0.00 2.01 -0.18 -0.96 115.64 123.16 1fe8 s THR 23 Ca 0.01 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1fe8 s THR 23 Cb -0.17 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1fe8 s THR 23 CO -0.04 0.31 0.17 -0.69 -0.69 0.00 0.00 174.62 173.68 1fe8 s VAL 24 N 1.36 4.79 -0.14 3.82 1.01 0.11 -1.44 120.40 129.91 1fe8 s VAL 24 Ca 0.07 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1fe8 s VAL 24 Cb -0.15 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1fe8 s VAL 24 CO 0.07 -0.03 0.36 -0.55 0.00 0.00 0.00 175.10 174.95 1fe8 s SER 25 N -2.93 -0.40 0.00 3.32 0.15 0.26 -4.80 113.70 109.30 1fe8 s SER 25 Ca 0.32 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1fe8 s SER 25 Cb -0.11 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1fe8 s SER 25 CO 0.25 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1fe8 n GLY 26 N 3.26 1.37 3.32 9.45 0.00 -1.26 -0.91 105.19 120.43 1fe8 n GLY 26 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1fe8 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1fe8 s PHE 27 N -2.30 -0.23 -0.02 1.61 -0.12 -1.26 -4.79 117.98 110.86 1fe8 s PHE 27 Ca 0.00 -0.00 -0.20 0.00 -0.05 0.00 0.00 56.93 56.68 1fe8 s PHE 27 Cb 0.00 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 1fe8 s PHE 27 CO 0.00 -0.67 0.56 0.45 -0.05 0.00 0.00 175.22 175.51 1fe8 s SER 28 N -2.58 6.91 0.00 1.98 0.15 -1.26 -4.96 113.70 113.94 1fe8 s SER 28 Ca 0.01 1.09 0.20 0.00 0.70 0.00 0.00 55.95 57.94 1fe8 s SER 28 Cb 0.01 -2.34 1.02 0.00 -1.71 0.00 0.00 66.02 63.00 1fe8 s SER 28 CO -0.09 0.10 1.61 0.18 1.20 0.00 0.00 173.24 176.25 1fe8 n LEU 29 N 2.80 0.00 0.02 3.45 4.77 -1.26 -1.41 117.00 125.37 1fe8 n LEU 29 Ca -0.07 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1fe8 n LEU 29 Cb 0.51 -0.25 0.22 0.00 -2.33 0.00 0.00 43.42 41.57 1fe8 n LEU 29 CO 0.43 -0.09 0.40 0.35 -1.33 0.00 0.00 177.39 177.15 1fe8 n THR 30 N -1.25 0.10 -0.06 -5.08 -2.24 -1.26 -4.17 114.28 100.33 1fe8 n THR 30 Ca 0.10 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 1fe8 n THR 30 Cb 0.15 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1fe8 n THR 30 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1fe8 n THR 31 N -1.70 1.43 -2.75 4.28 -1.04 -0.77 -4.53 114.28 109.20 1fe8 n THR 31 Ca 0.05 0.19 -0.34 0.00 -2.04 0.00 0.00 64.05 61.90 1fe8 n THR 31 Cb 0.37 -2.15 -0.06 0.00 -1.82 0.00 0.00 70.33 66.67 1fe8 n THR 31 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1fe8 s TYR 32 N -2.68 3.35 0.53 -1.42 1.51 -0.50 -4.45 117.35 113.70 1fe8 s TYR 32 Ca -0.22 1.65 0.02 0.00 -1.01 0.00 0.00 57.07 57.50 1fe8 s TYR 32 Cb 0.03 -2.92 0.03 0.00 -0.11 0.00 0.00 41.96 38.99 1fe8 s TYR 32 CO 0.33 -0.18 0.75 0.20 -1.11 0.00 0.00 175.55 175.54 1fe8 s GLY 33 N -1.97 1.83 -0.05 0.71 0.00 -0.76 -3.77 107.32 103.30 1fe8 s GLY 33 Ca 0.60 -1.35 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 1fe8 s GLY 33 CO 0.18 -1.08 -0.01 0.14 0.00 0.00 0.00 173.10 172.33 1fe8 s VAL 34 N -2.72 0.37 0.29 1.40 1.01 -0.43 -0.09 120.40 120.24 1fe8 s VAL 34 Ca 0.57 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1fe8 s VAL 34 Cb -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1fe8 s VAL 34 CO 0.38 0.23 0.15 -0.44 0.00 0.00 0.00 175.10 175.41 1fe8 s SER 35 N 1.50 5.00 -0.06 3.32 0.01 0.22 -1.30 113.70 122.40 1fe8 s SER 35 Ca -0.02 -0.54 0.06 0.00 1.31 0.00 0.00 55.95 56.76 1fe8 s SER 35 Cb -0.13 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1fe8 s SER 35 CO -0.03 -0.15 -0.25 0.26 0.41 0.00 0.00 173.24 173.48 1fe8 s TRP 36 N -2.29 2.45 0.04 2.43 0.52 -0.58 -1.01 118.94 120.50 1fe8 s TRP 36 Ca 0.35 -0.76 0.04 0.00 0.02 0.00 0.00 56.10 55.75 1fe8 s TRP 36 Cb -0.06 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1fe8 s TRP 36 CO 0.23 -0.24 -0.11 0.08 0.02 0.00 0.00 176.95 176.93 1fe8 s VAL 37 N -0.12 0.86 0.12 4.03 1.01 0.69 -0.34 120.40 126.64 1fe8 s VAL 37 Ca -0.05 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1fe8 s VAL 37 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1fe8 s VAL 37 CO 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 175.10 174.87 1fe8 s ARG 38 N -1.25 1.01 -0.27 2.72 1.70 0.12 0.61 118.95 123.59 1fe8 s ARG 38 Ca -0.02 -1.23 -0.02 0.00 -0.47 0.00 0.00 55.73 53.98 1fe8 s ARG 38 Cb -0.08 -0.88 0.09 0.00 -0.57 0.00 0.00 34.95 33.51 1fe8 s ARG 38 CO 0.01 0.17 0.09 -1.14 -1.08 0.00 0.00 175.30 173.35 1fe8 s GLN 39 N -2.69 0.54 0.84 3.89 0.74 -0.25 -0.24 119.66 122.49 1fe8 s GLN 39 Ca 0.09 -0.74 -0.11 0.00 0.05 0.00 0.00 55.36 54.64 1fe8 s GLN 39 Cb -0.05 -1.78 0.10 0.00 1.10 0.00 0.00 33.01 32.38 1fe8 s GLN 39 CO 0.03 -0.91 1.13 -2.14 -0.55 0.00 0.00 175.29 172.85 1fe8 s PRO 40 N 1.82 1.63 0.05 1.67 0.02 -1.26 -1.58 135.00 137.35 1fe8 s PRO 40 Ca 0.07 1.42 -0.36 0.00 0.02 0.00 0.00 61.00 62.15 1fe8 s PRO 40 Cb -0.17 -1.81 -0.15 0.00 0.02 0.00 0.00 34.50 32.39 1fe8 s PRO 40 CO -0.24 -2.15 1.52 -0.35 -0.33 0.00 0.00 177.00 175.44 1fe8 n PRO 41 N -3.79 1.57 -1.99 5.54 -0.04 -1.26 -1.41 135.00 133.62 1fe8 n PRO 41 Ca 0.11 0.57 -0.19 0.00 -0.04 0.00 0.00 63.50 63.95 1fe8 n PRO 41 Cb 0.52 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 1fe8 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fe8 n GLY 42 N 3.19 0.61 2.41 0.55 0.00 -1.26 -4.98 105.19 105.70 1fe8 n GLY 42 Ca 0.19 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1fe8 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fe8 n LYS 43 N -2.65 0.78 0.00 1.61 5.02 -0.50 -5.16 118.16 117.25 1fe8 n LYS 43 Ca -0.21 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 1fe8 n LYS 43 Cb 0.65 1.19 0.00 0.00 -0.02 0.00 0.00 35.03 36.85 1fe8 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fe8 n GLY 44 N 0.25 -0.44 3.91 0.72 0.00 -1.26 -4.69 105.19 103.68 1fe8 n GLY 44 Ca -0.06 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 1fe8 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fe8 s LEU 45 N 0.00 4.35 -0.06 0.99 1.43 -1.26 -4.11 118.68 120.02 1fe8 s LEU 45 Ca 0.00 0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1fe8 s LEU 45 Cb 0.00 -2.89 0.03 0.00 0.03 0.00 0.00 46.19 43.36 1fe8 s LEU 45 CO 0.00 0.19 -0.01 -1.61 0.23 0.00 0.00 176.35 175.15 1fe8 s GLU 46 N -2.29 0.63 0.03 1.70 2.02 0.67 -4.97 118.70 116.48 1fe8 s GLU 46 Ca 0.33 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 55.08 1fe8 s GLU 46 Cb -0.13 -0.90 -0.04 0.00 0.10 0.00 0.00 34.13 33.16 1fe8 s GLU 46 CO 0.24 -0.24 1.01 -0.46 0.02 0.00 0.00 175.26 175.83 1fe8 s TRP 47 N 1.65 3.65 -0.27 1.61 -0.00 -1.26 -0.70 118.94 123.61 1fe8 s TRP 47 Ca 0.00 1.66 -0.11 0.00 -0.00 0.00 0.00 56.10 57.65 1fe8 s TRP 47 Cb -0.13 -3.15 -0.13 0.00 -0.00 0.00 0.00 33.47 30.05 1fe8 s TRP 47 CO -0.04 -0.16 -0.31 1.28 -0.00 0.00 0.00 176.95 177.73 1fe8 n LEU 48 N 3.73 2.15 0.00 5.86 4.77 0.53 -4.74 117.00 129.31 1fe8 n LEU 48 Ca 0.06 0.25 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1fe8 n LEU 48 Cb 0.50 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1fe8 n LEU 48 CO 0.52 0.64 1.08 0.61 -1.33 0.00 0.00 177.39 178.91 1fe8 n GLY 49 N 1.45 0.22 3.25 -0.72 0.00 -1.22 -0.56 105.19 107.62 1fe8 n GLY 49 Ca -0.52 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 1fe8 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fe8 s VAL 50 N -2.02 0.07 -0.17 1.61 0.11 -0.09 -1.52 120.40 118.39 1fe8 s VAL 50 Ca 0.30 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1fe8 s VAL 50 Cb -0.01 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1fe8 s VAL 50 CO -0.01 -0.32 -0.09 -0.51 -3.33 0.00 0.00 175.10 170.85 1fe8 s ILE 51 N -2.04 1.36 0.88 7.04 2.07 -0.42 -2.07 121.20 128.03 1fe8 s ILE 51 Ca -0.09 -0.72 -0.12 0.00 -1.41 0.00 0.00 60.65 58.32 1fe8 s ILE 51 Cb -0.03 -1.43 0.12 0.00 0.13 0.00 0.00 42.46 41.25 1fe8 s ILE 51 CO -0.00 0.23 1.14 0.26 -1.91 0.00 0.00 174.94 174.66 1fe8 s TRP 52 N 1.54 2.64 0.38 3.50 0.52 0.45 -1.31 118.94 126.66 1fe8 s TRP 52 Ca 0.01 0.86 0.15 0.00 0.02 0.00 0.00 56.10 57.15 1fe8 s TRP 52 Cb -0.15 -3.38 1.02 0.00 -1.15 0.00 0.00 33.47 29.81 1fe8 s TRP 52 CO -0.08 -2.18 1.79 0.78 0.02 0.00 0.00 176.95 177.27 1fe8 h GLY 53 N -1.37 1.27 -1.72 0.98 0.00 -1.72 -0.11 103.07 100.40 1fe8 h GLY 53 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1fe8 h GLY 53 CO 0.62 -0.09 0.00 2.09 0.00 0.00 0.00 176.54 179.16 1fe8 n ASP 54 N -4.64 2.52 0.00 0.19 5.68 -1.26 -4.42 116.55 114.62 1fe8 n ASP 54 Ca 0.24 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1fe8 n ASP 54 Cb 0.77 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1fe8 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fe8 n GLY 55 N 0.74 2.29 3.76 6.12 0.00 -0.06 -5.02 105.19 113.03 1fe8 n GLY 55 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1fe8 n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fe8 n ASN 56 N 0.00 3.36 -4.27 1.61 2.85 -1.26 -4.66 115.26 112.89 1fe8 n ASN 56 Ca 0.00 1.13 -0.24 0.00 -0.11 0.00 0.00 54.58 55.36 1fe8 n ASN 56 Cb 0.00 -1.60 -0.13 0.00 1.24 0.00 0.00 39.78 39.29 1fe8 n ASN 56 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1fe8 s THR 57 N -1.18 1.69 -0.11 -0.44 -4.23 -1.26 -0.41 115.64 109.70 1fe8 s THR 57 Ca 0.60 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1fe8 s THR 57 Cb -0.46 -1.51 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1fe8 s THR 57 CO 0.58 0.04 0.24 -0.89 -0.54 0.00 0.00 174.62 174.05 1fe8 s THR 58 N -1.02 -0.12 0.18 3.99 2.01 -0.88 -5.01 115.64 114.79 1fe8 s THR 58 Ca 0.07 0.18 0.11 0.00 0.31 0.00 0.00 61.69 62.36 1fe8 s THR 58 Cb -0.10 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1fe8 s THR 58 CO 0.03 0.08 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.50 1fe8 s TYR 59 N 1.52 2.33 0.25 4.92 1.51 -1.26 -0.92 117.35 125.71 1fe8 s TYR 59 Ca -0.07 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.33 1fe8 s TYR 59 Cb -0.11 -1.17 -0.12 0.00 -0.11 0.00 0.00 41.96 40.45 1fe8 s TYR 59 CO -0.08 0.48 1.62 1.58 -1.11 0.00 0.00 175.55 178.04 1fe8 n HIS 60 N 0.32 2.73 -0.39 2.71 -0.00 0.28 -4.82 115.22 116.06 1fe8 n HIS 60 Ca -0.13 0.20 0.31 0.00 -0.00 0.00 0.00 57.72 58.10 1fe8 n HIS 60 Cb 0.56 -2.61 0.58 0.00 -0.00 0.00 0.00 29.99 28.52 1fe8 n HIS 60 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1fe8 h SER 61 N 5.42 0.34 0.83 0.26 4.64 -1.98 0.29 113.55 123.36 1fe8 h SER 61 Ca -0.45 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1fe8 h SER 61 Cb 1.22 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1fe8 h SER 61 CO 0.85 -0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 1fe8 h ALA 62 N 1.68 1.00 -0.26 5.18 0.00 -1.97 -3.08 119.26 121.81 1fe8 h ALA 62 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.67 1fe8 h ALA 62 Cb 2.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1fe8 h ALA 62 CO -0.46 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.07 1fe8 n LEU 63 N -2.47 2.66 -0.35 0.00 4.77 0.99 -4.67 117.00 117.93 1fe8 n LEU 63 Ca 0.02 -1.73 0.12 0.00 -0.03 0.00 0.00 56.01 54.38 1fe8 n LEU 63 Cb 0.26 -0.17 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 1fe8 n LEU 63 CO 0.22 0.63 1.20 0.40 -1.33 0.00 0.00 177.39 178.52 1fe8 h ILE 64 N 2.07 0.75 -0.00 -0.08 2.04 -1.44 0.21 117.51 121.06 1fe8 h ILE 64 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1fe8 h ILE 64 Cb 0.66 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1fe8 h ILE 64 CO 0.00 0.15 -0.11 -1.54 0.00 0.00 0.00 178.15 176.65 1fe8 n SER 65 N -4.73 0.43 0.00 1.72 3.41 -1.26 -4.33 113.62 108.86 1fe8 n SER 65 Ca 0.22 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1fe8 n SER 65 Cb 0.53 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1fe8 n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fe8 n ARG 66 N -1.01 2.98 -3.79 4.33 1.74 -0.58 -4.95 116.66 115.37 1fe8 n ARG 66 Ca 0.14 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.85 1fe8 n ARG 66 Cb 0.28 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.92 1fe8 n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1fe8 s LEU 67 N -1.55 4.41 -0.04 0.55 2.96 0.64 -1.35 118.68 124.30 1fe8 s LEU 67 Ca 0.00 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1fe8 s LEU 67 Cb 0.00 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.46 1fe8 s LEU 67 CO 0.00 0.37 0.07 -0.55 -1.32 0.00 0.00 176.35 174.92 1fe8 s SER 68 N -1.14 -0.01 -0.07 3.68 0.15 -0.34 -4.85 113.70 111.12 1fe8 s SER 68 Ca 0.19 0.14 0.02 0.00 0.70 0.00 0.00 55.95 57.00 1fe8 s SER 68 Cb -0.13 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1fe8 s SER 68 CO 0.08 -0.12 -0.13 -0.63 1.20 0.00 0.00 173.24 173.64 1fe8 s ILE 69 N 0.96 1.20 0.32 6.45 1.01 -1.26 -1.31 121.20 128.57 1fe8 s ILE 69 Ca -0.08 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1fe8 s ILE 69 Cb -0.11 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1fe8 s ILE 69 CO -0.04 0.37 0.33 -0.94 0.00 0.00 0.00 174.94 174.66 1fe8 s SER 70 N 0.60 1.19 0.39 3.58 1.04 -0.52 -4.94 113.70 115.04 1fe8 s SER 70 Ca -0.14 -1.60 -0.14 0.00 0.48 0.00 0.00 55.95 54.54 1fe8 s SER 70 Cb -0.16 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1fe8 s SER 70 CO 0.04 -1.11 0.77 -1.59 0.98 0.00 0.00 173.24 172.33 1fe8 s LYS 71 N -3.43 2.26 -0.28 4.02 -2.85 -1.26 0.10 119.74 118.30 1fe8 s LYS 71 Ca 0.37 -1.50 -0.03 0.00 -1.00 0.00 0.00 55.97 53.80 1fe8 s LYS 71 Cb 0.02 0.62 0.11 0.00 -2.06 0.00 0.00 37.83 36.51 1fe8 s LYS 71 CO 0.23 -1.05 0.17 0.34 0.10 0.00 0.00 175.35 175.14 1fe8 s ASP 72 N -3.10 3.01 0.29 0.03 3.68 0.17 -4.96 116.67 115.79 1fe8 s ASP 72 Ca 0.17 -1.12 -0.01 0.00 2.13 0.00 0.00 52.55 53.72 1fe8 s ASP 72 Cb -0.05 -0.13 0.46 0.00 -1.45 0.00 0.00 42.92 41.75 1fe8 s ASP 72 CO 0.13 -0.42 1.92 0.78 0.13 0.00 0.00 175.17 177.70 1fe8 h ASN 73 N 8.37 0.97 0.10 -0.34 2.35 -1.95 -1.80 115.58 123.29 1fe8 h ASN 73 Ca -0.18 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.46 1fe8 h ASN 73 Cb 1.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1fe8 h ASN 73 CO 0.41 0.65 -0.36 0.77 -1.65 0.00 0.00 177.43 177.24 1fe8 h SER 74 N 1.12 0.38 -0.32 5.81 4.64 -1.96 -2.97 113.55 120.26 1fe8 h SER 74 Ca 0.38 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1fe8 h SER 74 Cb 0.10 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1fe8 h SER 74 CO -0.13 0.72 0.00 0.54 -0.87 0.00 0.00 176.83 177.08 1fe8 n ARG 75 N -4.06 2.21 -3.85 4.77 1.74 -0.97 -4.95 116.66 111.56 1fe8 n ARG 75 Ca -0.01 -1.83 -0.28 0.00 -0.77 0.00 0.00 57.85 54.96 1fe8 n ARG 75 Cb 0.46 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1fe8 n ARG 75 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1fe8 n SER 76 N 1.05 -3.96 -4.15 0.55 7.64 -0.72 -4.80 113.62 109.23 1fe8 n SER 76 Ca 0.18 -0.78 -0.22 0.00 1.01 0.00 0.00 58.87 59.06 1fe8 n SER 76 Cb 0.50 -3.98 -0.14 0.00 -1.01 0.00 0.00 64.21 59.57 1fe8 n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1fe8 s GLN 77 N -6.45 1.10 -0.00 1.43 -0.21 -1.00 0.04 119.66 114.57 1fe8 s GLN 77 Ca 0.49 -0.70 0.07 0.00 0.02 0.00 0.00 55.36 55.24 1fe8 s GLN 77 Cb -0.24 -1.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.64 1fe8 s GLN 77 CO 0.82 0.29 -0.22 0.08 -2.12 0.00 0.00 175.29 174.14 1fe8 s VAL 78 N -0.66 1.75 -0.03 1.09 1.01 -0.13 -0.66 120.40 122.78 1fe8 s VAL 78 Ca 0.04 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1fe8 s VAL 78 Cb -0.07 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1fe8 s VAL 78 CO 0.01 0.44 -0.23 -0.36 0.00 0.00 0.00 175.10 174.96 1fe8 s PHE 79 N -0.58 2.43 -0.05 5.22 0.40 0.29 -0.79 117.98 124.89 1fe8 s PHE 79 Ca 0.09 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 1fe8 s PHE 79 Cb -0.09 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1fe8 s PHE 79 CO -0.00 0.02 -0.19 -1.17 0.70 0.00 0.00 175.22 174.58 1fe8 s LEU 80 N -0.66 2.48 -0.09 -0.37 1.98 -0.31 -1.44 118.68 120.26 1fe8 s LEU 80 Ca 0.10 -0.31 -0.03 0.00 -2.89 0.00 0.00 54.13 51.00 1fe8 s LEU 80 Cb -0.10 -1.48 0.05 0.00 0.66 0.00 0.00 46.19 45.32 1fe8 s LEU 80 CO -0.01 0.32 0.15 -0.54 -1.89 0.00 0.00 176.35 174.38 1fe8 s LYS 81 N -0.58 0.03 -0.15 1.98 1.02 -0.43 -1.85 119.74 119.77 1fe8 s LYS 81 Ca 0.08 0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.59 1fe8 s LYS 81 Cb -0.11 -0.39 0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1fe8 s LYS 81 CO 0.01 -0.34 -0.18 -1.17 -0.92 0.00 0.00 175.35 172.75 1fe8 s LEU 82 N 2.28 1.91 0.51 3.17 2.96 0.25 -1.19 118.68 128.57 1fe8 s LEU 82 Ca 0.03 -0.55 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1fe8 s LEU 82 Cb -0.12 -1.31 0.05 0.00 0.50 0.00 0.00 46.19 45.31 1fe8 s LEU 82 CO -0.06 -0.00 0.70 0.20 -1.32 0.00 0.00 176.35 175.87 1fe8 s ASN 83 N 1.21 5.32 -1.25 3.68 0.01 -0.46 -0.48 114.94 122.98 1fe8 s ASN 83 Ca 0.01 -0.58 -0.32 0.00 -0.71 0.00 0.00 52.86 51.26 1fe8 s ASN 83 Cb -0.14 -0.22 0.04 0.00 0.41 0.00 0.00 41.25 41.35 1fe8 s ASN 83 CO -0.08 -1.10 0.62 -1.54 -1.51 0.00 0.00 177.10 173.49 1fe8 n SER 84 N -2.10 -3.64 -4.61 -1.22 3.41 -1.22 -4.89 113.62 99.34 1fe8 n SER 84 Ca 0.12 -1.30 -0.29 0.00 -0.26 0.00 0.00 58.87 57.14 1fe8 n SER 84 Cb 0.60 -1.65 0.20 0.00 -0.26 0.00 0.00 64.21 63.10 1fe8 n SER 84 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fe8 s LEU 85 N -7.48 1.48 0.22 1.04 1.43 -1.07 -4.95 118.68 109.35 1fe8 s LEU 85 Ca 0.45 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.90 1fe8 s LEU 85 Cb -0.25 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 1fe8 s LEU 85 CO 0.98 -3.49 0.33 -1.00 0.23 0.00 0.00 176.35 173.41 1fe8 s HIS 86 N -2.74 0.62 0.40 0.29 3.76 -1.24 -4.13 115.29 112.25 1fe8 s HIS 86 Ca 0.66 -0.94 0.10 0.00 -0.15 0.00 0.00 55.06 54.73 1fe8 s HIS 86 Cb -0.21 -0.09 0.83 0.00 1.11 0.00 0.00 32.58 34.22 1fe8 s HIS 86 CO 0.60 -0.83 1.95 0.00 -0.85 0.00 0.00 174.74 175.61 1fe8 h THR 87 N 2.42 1.15 0.00 1.30 1.03 -1.90 -1.79 112.91 115.12 1fe8 h THR 87 Ca -0.30 -0.63 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 1fe8 h THR 87 Cb 1.25 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 1fe8 h THR 87 CO 0.43 0.20 0.00 -0.90 -0.01 0.00 0.00 175.52 175.24 1fe8 n ASP 88 N -4.33 0.00 -0.68 0.00 5.68 -1.26 -1.32 116.55 114.64 1fe8 n ASP 88 Ca -0.00 -0.87 0.12 0.00 -0.50 0.00 0.00 54.79 53.54 1fe8 n ASP 88 Cb 0.22 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.36 1fe8 n ASP 88 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1fe8 n ASP 89 N -0.77 2.30 -4.74 -1.12 8.00 -0.67 -4.91 116.55 114.64 1fe8 n ASP 89 Ca 0.08 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.48 1fe8 n ASP 89 Cb 0.04 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 1fe8 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1fe8 s THR 90 N -2.19 2.27 0.00 -3.53 2.01 -0.44 -4.86 115.64 108.90 1fe8 s THR 90 Ca 0.26 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1fe8 s THR 90 Cb 0.19 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1fe8 s THR 90 CO 0.41 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 1fe8 n ALA 91 N 2.77 0.00 -2.70 7.40 0.00 -0.18 -4.40 120.51 123.39 1fe8 n ALA 91 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 1fe8 n ALA 91 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1fe8 n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fe8 s THR 92 N -2.00 5.19 -0.16 0.00 2.01 -0.62 0.04 115.64 120.11 1fe8 s THR 92 Ca 0.00 0.84 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 1fe8 s THR 92 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1fe8 s THR 92 CO 0.00 0.29 0.01 -0.31 -0.69 0.00 0.00 174.62 173.93 1fe8 s TYR 93 N 0.92 3.15 0.11 4.92 1.51 0.10 -1.09 117.35 126.97 1fe8 s TYR 93 Ca 0.23 -0.06 0.10 0.00 -1.01 0.00 0.00 57.07 56.33 1fe8 s TYR 93 Cb -0.15 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1fe8 s TYR 93 CO 0.09 0.12 -0.26 0.71 -1.11 0.00 0.00 175.55 175.10 1fe8 s TYR 94 N 0.20 2.20 0.07 2.71 1.51 0.20 -0.79 117.35 123.45 1fe8 s TYR 94 Ca 0.01 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 1fe8 s TYR 94 Cb -0.13 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1fe8 s TYR 94 CO 0.02 0.29 -0.18 0.00 -1.11 0.00 0.00 175.55 174.56 1fe8 s ALA 96 N -1.01 -0.60 0.36 0.00 0.00 -0.18 -1.22 121.76 119.12 1fe8 s ALA 96 Ca 0.16 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.62 1fe8 s ALA 96 Cb -0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 1fe8 s ALA 96 CO 0.07 -0.13 1.04 0.20 0.00 0.00 0.00 175.76 176.94 1fe8 s GLY 97 N 0.35 2.81 -0.11 0.00 0.00 -0.30 -0.61 107.32 109.46 1fe8 s GLY 97 Ca -0.02 0.71 0.03 0.00 0.00 0.00 0.00 44.72 45.45 1fe8 s GLY 97 CO -0.01 1.18 -0.23 -1.31 0.00 0.00 0.00 173.10 172.72 1fe8 s ASN 98 N -1.44 3.04 0.27 1.64 -0.87 0.88 -1.29 114.94 117.17 1fe8 s ASN 98 Ca 0.54 -0.56 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 1fe8 s ASN 98 Cb -0.23 -1.40 0.00 0.00 -0.02 0.00 0.00 41.25 39.60 1fe8 s ASN 98 CO 0.30 0.12 0.00 0.00 -2.57 0.00 0.00 177.10 174.95 1fe8 n TYR 99 N 3.74 -2.40 -0.03 2.20 9.36 -1.26 -1.83 117.16 126.94 1fe8 n TYR 99 Ca -0.19 0.43 0.06 0.00 3.32 0.00 0.00 57.90 61.52 1fe8 n TYR 99 Cb 0.52 0.63 -0.15 0.00 -0.63 0.00 0.00 39.34 39.71 1fe8 n TYR 99 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1fe8 n TYR 100 N -3.39 0.00 0.00 2.98 0.53 -1.26 -5.05 117.16 110.96 1fe8 n TYR 100 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1fe8 n TYR 100 Cb 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 39.34 37.76 1fe8 n TYR 100 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1fe8 n GLY 101 N 1.45 0.03 2.87 2.72 0.00 -1.26 -4.99 105.19 106.01 1fe8 n GLY 101 Ca -0.09 0.55 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 1fe8 n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fe8 n MET 102 N 0.00 2.68 -0.27 1.61 2.81 -1.26 -4.17 117.12 118.52 1fe8 n MET 102 Ca 0.00 -4.55 -0.01 0.00 -1.81 0.00 0.00 57.70 51.34 1fe8 n MET 102 Cb 0.00 -2.36 0.12 0.00 -0.71 0.00 0.00 33.22 30.27 1fe8 n MET 102 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1fe8 h ASP 103 N 5.30 0.70 -3.74 7.83 3.45 -1.55 -3.43 116.42 124.97 1fe8 h ASP 103 Ca 0.18 0.02 -0.30 0.00 0.43 0.00 0.00 57.03 57.36 1fe8 h ASP 103 Cb 0.73 -0.12 -0.30 0.00 -0.56 0.00 0.00 39.33 39.08 1fe8 h ASP 103 CO 0.89 0.45 -0.74 -0.31 -1.57 0.00 0.00 179.24 177.96 1fe8 s TYR 104 N -6.08 0.27 0.09 4.55 2.02 -1.22 -4.98 117.35 112.00 1fe8 s TYR 104 Ca -0.13 -0.04 0.08 0.00 -0.37 0.00 0.00 57.07 56.62 1fe8 s TYR 104 Cb 0.17 -0.23 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 1fe8 s TYR 104 CO 0.77 -0.04 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.96 1fe8 s TRP 105 N 0.21 2.54 0.70 2.71 0.52 -1.26 -1.14 118.94 123.21 1fe8 s TRP 105 Ca -0.02 -0.26 -0.10 0.00 0.02 0.00 0.00 56.10 55.74 1fe8 s TRP 105 Cb -0.04 -1.38 0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1fe8 s TRP 105 CO -0.01 0.34 1.06 0.20 0.02 0.00 0.00 176.95 178.56 1fe8 s GLY 106 N -1.91 1.62 0.31 0.98 0.00 -0.36 -4.54 107.32 103.43 1fe8 s GLY 106 Ca 0.17 -0.53 0.25 0.00 0.00 0.00 0.00 44.72 44.60 1fe8 s GLY 106 CO 0.08 -0.16 1.75 0.06 0.00 0.00 0.00 173.10 174.83 1fe8 h GLN 107 N -0.61 0.00 0.00 2.90 3.07 -1.91 -3.44 115.11 115.12 1fe8 h GLN 107 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1fe8 h GLN 107 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1fe8 h GLN 107 CO 0.63 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.96 1fe8 n GLY 108 N -0.24 -1.88 3.02 0.06 0.00 -1.26 -5.02 105.19 99.87 1fe8 n GLY 108 Ca 0.01 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 1fe8 n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fe8 s THR 109 N -3.41 0.95 0.08 2.61 -4.23 0.03 -4.88 115.64 106.78 1fe8 s THR 109 Ca 0.00 -0.43 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 1fe8 s THR 109 Cb 0.00 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 1fe8 s THR 109 CO 0.00 0.29 1.01 -0.55 -0.54 0.00 0.00 174.62 174.84 1fe8 s SER 110 N 0.28 7.38 -0.17 3.99 0.15 -1.26 0.03 113.70 124.10 1fe8 s SER 110 Ca -0.06 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.42 1fe8 s SER 110 Cb -0.11 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1fe8 s SER 110 CO 0.01 -0.20 -0.12 -0.69 1.20 0.00 0.00 173.24 173.45 1fe8 s VAL 111 N 0.41 1.54 -0.25 4.45 1.01 0.11 -4.23 120.40 123.43 1fe8 s VAL 111 Ca 0.50 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1fe8 s VAL 111 Cb -0.24 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1fe8 s VAL 111 CO 0.30 0.32 0.11 -0.89 0.00 0.00 0.00 175.10 174.94 1fe8 s THR 112 N 1.47 4.67 -0.48 3.92 2.01 0.28 -1.01 115.64 126.50 1fe8 s THR 112 Ca 0.02 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 1fe8 s THR 112 Cb -0.14 -3.20 0.12 0.00 0.01 0.00 0.00 72.50 69.29 1fe8 s THR 112 CO -0.09 0.32 0.37 -0.69 -0.69 0.00 0.00 174.62 173.83 1fe8 s VAL 113 N 1.58 4.36 0.11 3.82 1.01 -1.26 0.09 120.40 130.12 1fe8 s VAL 113 Ca 0.06 -1.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 1fe8 s VAL 113 Cb -0.15 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1fe8 s VAL 113 CO 0.06 -0.79 0.39 -0.55 0.00 0.00 0.00 175.10 174.21 1fe8 s SER 114 N 2.82 -0.22 0.08 3.32 0.15 -0.67 -4.17 113.70 115.01 1fe8 s SER 114 Ca 0.05 -0.30 0.25 0.00 0.70 0.00 0.00 55.95 56.65 1fe8 s SER 114 Cb -0.27 0.46 0.44 0.00 -1.71 0.00 0.00 66.02 64.94 1fe8 s SER 114 CO -0.00 -0.82 1.38 -1.20 1.20 0.00 0.00 173.24 173.79 1fe8 n SER 115 N -0.13 0.60 -4.54 5.45 7.64 -1.26 -4.01 113.62 117.37 1fe8 n SER 115 Ca -0.16 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.38 1fe8 n SER 115 Cb 0.63 0.16 0.06 0.00 -1.01 0.00 0.00 64.21 64.05 1fe8 n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fe8 n ALA 116 N -1.71 -0.70 -2.81 -0.43 0.00 -1.26 -4.97 120.51 108.63 1fe8 n ALA 116 Ca 0.04 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1fe8 n ALA 116 Cb 0.40 -1.98 -0.07 0.00 0.00 0.00 0.00 19.45 17.80 1fe8 n ALA 116 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1fe8 s GLU 117 N -2.76 3.27 -0.21 0.00 0.41 -1.26 -5.03 118.70 113.11 1fe8 s GLU 117 Ca 0.71 -0.23 -0.36 0.00 -0.41 0.00 0.00 54.97 54.68 1fe8 s GLU 117 Cb -0.38 -3.04 -0.12 0.00 -1.78 0.00 0.00 34.13 28.80 1fe8 s GLU 117 CO 0.52 0.75 1.95 2.41 -0.49 0.00 0.00 175.26 180.40 1fe8 n THR 118 N 2.04 0.41 -4.95 3.63 -1.04 -1.26 -4.77 114.28 108.34 1fe8 n THR 118 Ca -0.19 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.05 61.38 1fe8 n THR 118 Cb 0.54 -1.70 -0.17 0.00 -1.82 0.00 0.00 70.33 67.19 1fe8 n THR 118 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1fe8 s THR 119 N 5.00 1.66 0.85 12.58 2.01 -0.25 -4.95 115.64 132.53 1fe8 s THR 119 Ca 0.99 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 62.09 1fe8 s THR 119 Cb -0.81 -1.45 0.10 0.00 0.01 0.00 0.00 72.50 70.36 1fe8 s THR 119 CO 0.54 0.47 1.10 0.00 -0.69 0.00 0.00 174.62 176.04 1fe8 s ALA 120 N 0.41 1.78 0.10 7.40 0.00 -1.26 -1.59 121.76 128.60 1fe8 s ALA 120 Ca -0.15 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1fe8 s ALA 120 Cb -0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1fe8 s ALA 120 CO 0.06 -2.23 0.23 -1.25 0.00 0.00 0.00 175.76 172.57 1fe8 s PRO 121 N -4.84 3.38 -0.23 0.00 0.04 -1.26 -4.28 135.00 127.81 1fe8 s PRO 121 Ca 0.63 -0.54 -0.14 0.00 0.04 0.00 0.00 61.00 60.99 1fe8 s PRO 121 Cb -0.19 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1fe8 s PRO 121 CO 0.57 0.56 0.31 -1.12 0.04 0.00 0.00 177.00 177.36 1fe8 s SER 122 N -2.84 6.28 -0.33 6.66 0.01 -0.56 -4.94 113.70 117.98 1fe8 s SER 122 Ca 0.34 0.32 -0.12 0.00 1.31 0.00 0.00 55.95 57.81 1fe8 s SER 122 Cb -0.12 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 1fe8 s SER 122 CO 0.28 -0.05 0.22 -0.69 0.41 0.00 0.00 173.24 173.40 1fe8 s VAL 123 N 1.38 5.06 -0.10 3.43 1.01 -1.26 -2.18 120.40 127.74 1fe8 s VAL 123 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1fe8 s VAL 123 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1fe8 s VAL 123 CO 0.07 -0.00 -0.04 -0.31 0.00 0.00 0.00 175.10 174.82 1fe8 s TYR 124 N 1.68 3.03 0.22 5.22 2.02 0.15 -4.95 117.35 124.72 1fe8 s TYR 124 Ca 0.05 -0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.45 1fe8 s TYR 124 Cb -0.17 -1.80 -0.08 0.00 -0.40 0.00 0.00 41.96 39.50 1fe8 s TYR 124 CO 0.09 0.27 0.93 -1.59 -1.57 0.00 0.00 175.55 173.68 1fe8 s LYS 125 N -0.51 4.81 -0.31 -0.62 -2.85 -1.26 -0.61 119.74 118.39 1fe8 s LYS 125 Ca 0.08 1.45 0.02 0.00 -1.00 0.00 0.00 55.97 56.52 1fe8 s LYS 125 Cb -0.12 -3.29 0.08 0.00 -2.06 0.00 0.00 37.83 32.44 1fe8 s LYS 125 CO 0.02 0.48 0.00 -0.51 0.10 0.00 0.00 175.35 175.45 1fe8 s LEU 126 N -1.01 4.22 0.15 2.77 1.43 -0.29 -4.89 118.68 121.06 1fe8 s LEU 126 Ca 0.41 -1.73 0.06 0.00 -1.03 0.00 0.00 54.13 51.84 1fe8 s LEU 126 Cb -0.25 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1fe8 s LEU 126 CO 0.31 -0.31 0.07 -1.61 0.23 0.00 0.00 176.35 175.04 1fe8 s GLU 127 N 1.06 2.70 0.92 1.70 8.01 -1.26 -0.54 118.70 131.28 1fe8 s GLU 127 Ca 0.01 -0.92 -0.10 0.00 0.01 0.00 0.00 54.97 53.96 1fe8 s GLU 127 Cb -0.20 -2.55 0.15 0.00 -4.31 0.00 0.00 34.13 27.22 1fe8 s GLU 127 CO -0.05 0.49 1.13 -2.14 0.01 0.00 0.00 175.26 174.70 1fe8 s PRO 128 N -2.90 0.99 0.22 0.39 0.02 -1.26 -4.98 135.00 127.48 1fe8 s PRO 128 Ca 0.29 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 62.68 1fe8 s PRO 128 Cb -0.10 -1.73 0.19 0.00 0.02 0.00 0.00 34.50 32.88 1fe8 s PRO 128 CO 0.21 -2.62 1.89 0.28 -0.33 0.00 0.00 177.00 176.43 1fe8 h VAL 129 N -1.86 1.19 -0.05 3.83 2.07 -1.99 -3.42 116.25 116.02 1fe8 h VAL 129 Ca -0.45 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1fe8 h VAL 129 Cb 1.27 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1fe8 h VAL 129 CO 0.43 0.20 0.95 -1.54 0.02 0.00 0.00 177.57 177.62 1fe8 n SER 136 N -4.53 0.00 -3.86 0.57 3.41 -1.26 -5.05 113.62 102.90 1fe8 n SER 136 Ca 0.09 0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 59.06 1fe8 n SER 136 Cb 0.03 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 1fe8 n SER 136 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fe8 s SER 137 N -2.95 -0.01 0.16 4.04 1.04 -1.26 0.71 113.70 115.43 1fe8 s SER 137 Ca -0.00 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.41 1fe8 s SER 137 Cb 0.01 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1fe8 s SER 137 CO 0.02 -0.32 -0.19 0.68 0.98 0.00 0.00 173.24 174.42 1fe8 s VAL 138 N -1.13 1.81 -0.15 5.02 -7.23 0.75 -4.71 120.40 114.76 1fe8 s VAL 138 Ca -0.12 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1fe8 s VAL 138 Cb -0.06 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1fe8 s VAL 138 CO 0.01 -0.29 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.48 1fe8 s THR 139 N -1.96 2.80 0.23 5.32 2.01 -1.26 -1.44 115.64 121.35 1fe8 s THR 139 Ca 0.15 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.49 1fe8 s THR 139 Cb -0.06 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1fe8 s THR 139 CO 0.06 0.51 0.08 -0.76 -0.69 0.00 0.00 174.62 173.83 1fe8 s LEU 140 N 0.69 3.49 0.26 4.42 1.02 0.29 -4.50 118.68 124.35 1fe8 s LEU 140 Ca -0.07 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 53.68 1fe8 s LEU 140 Cb -0.16 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 1fe8 s LEU 140 CO 0.02 0.01 0.13 -0.83 0.02 0.00 0.00 176.35 175.70 1fe8 s GLY 141 N -3.53 1.79 -0.16 -3.19 0.00 0.29 -0.92 107.32 101.60 1fe8 s GLY 141 Ca 0.31 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.19 1fe8 s GLY 141 CO 0.22 -1.54 0.28 0.00 0.00 0.00 0.00 173.10 172.05 1fe8 s LEU 143 N 2.43 3.78 -0.35 0.00 2.96 0.22 -1.98 118.68 125.74 1fe8 s LEU 143 Ca 0.04 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1fe8 s LEU 143 Cb -0.13 -1.97 0.10 0.00 0.50 0.00 0.00 46.19 44.70 1fe8 s LEU 143 CO -0.10 0.14 0.08 -0.69 -1.32 0.00 0.00 176.35 174.46 1fe8 s VAL 144 N 0.60 1.91 0.28 1.68 1.01 0.43 0.34 120.40 126.65 1fe8 s VAL 144 Ca 0.04 -2.18 0.08 0.00 0.00 0.00 0.00 61.98 59.92 1fe8 s VAL 144 Cb -0.13 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1fe8 s VAL 144 CO 0.01 -0.64 -0.10 -1.59 0.00 0.00 0.00 175.10 172.78 1fe8 s LYS 145 N 0.98 1.59 -0.58 2.72 -2.85 -0.93 0.25 119.74 120.93 1fe8 s LYS 145 Ca 0.11 -1.78 -0.04 0.00 -1.00 0.00 0.00 55.97 53.27 1fe8 s LYS 145 Cb -0.19 -1.36 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 1fe8 s LYS 145 CO -0.12 0.13 0.50 0.41 0.10 0.00 0.00 175.35 176.38 1fe8 n GLY 146 N -0.60 0.30 3.64 0.59 0.00 -0.30 -1.50 105.19 107.32 1fe8 n GLY 146 Ca -0.06 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1fe8 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fe8 s TYR 147 N -3.14 2.53 -0.29 1.61 -0.85 -1.01 -4.34 117.35 111.87 1fe8 s TYR 147 Ca 0.23 -0.63 -0.21 0.00 -0.52 0.00 0.00 57.07 55.94 1fe8 s TYR 147 Cb -0.10 -1.79 0.16 0.00 0.38 0.00 0.00 41.96 40.61 1fe8 s TYR 147 CO 0.31 0.40 1.18 0.12 -1.52 0.00 0.00 175.55 176.04 1fe8 s PHE 148 N -2.67 -0.31 0.21 -3.49 5.36 -0.62 -1.11 117.98 115.35 1fe8 s PHE 148 Ca 0.36 0.69 0.03 0.00 -0.96 0.00 0.00 56.93 57.05 1fe8 s PHE 148 Cb 0.08 0.34 0.04 0.00 -0.34 0.00 0.00 43.02 43.14 1fe8 s PHE 148 CO 0.19 -0.15 0.29 -0.35 -1.46 0.00 0.00 175.22 173.74 1fe8 n PRO 149 N 2.53 0.74 -1.55 10.12 -0.04 -1.26 -1.09 135.00 144.44 1fe8 n PRO 149 Ca -0.14 -1.04 -0.33 0.00 -0.04 0.00 0.00 63.50 61.95 1fe8 n PRO 149 Cb 0.57 -0.12 0.07 0.00 -0.04 0.00 0.00 33.50 33.98 1fe8 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1fe8 s GLU 150 N -3.01 2.50 0.14 0.54 0.41 -1.26 -4.78 118.70 113.24 1fe8 s GLU 150 Ca 0.21 1.41 0.01 0.00 -0.41 0.00 0.00 54.97 56.20 1fe8 s GLU 150 Cb -0.02 -1.91 0.01 0.00 -1.78 0.00 0.00 34.13 30.43 1fe8 s GLU 150 CO 0.14 -1.49 0.08 -0.35 -0.49 0.00 0.00 175.26 173.15 1fe8 n PRO 151 N -2.77 1.37 -4.07 0.39 -0.04 -1.26 -4.98 135.00 123.63 1fe8 n PRO 151 Ca 0.11 -0.92 -0.08 0.00 -0.04 0.00 0.00 63.50 62.57 1fe8 n PRO 151 Cb 0.52 0.13 -0.10 0.00 -0.04 0.00 0.00 33.50 34.01 1fe8 n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fe8 s VAL 152 N -0.88 0.25 -0.02 0.52 -7.23 -1.26 -4.58 120.40 107.20 1fe8 s VAL 152 Ca 0.06 -1.63 0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1fe8 s VAL 152 Cb -0.01 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 1fe8 s VAL 152 CO 0.04 -0.88 -0.24 0.42 -0.31 0.00 0.00 175.10 174.14 1fe8 s THR 153 N -3.35 1.87 -0.00 5.32 -4.23 0.30 -4.96 115.64 110.59 1fe8 s THR 153 Ca 0.02 -1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1fe8 s THR 153 Cb 0.04 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1fe8 s THR 153 CO -0.08 0.52 0.01 -0.22 -0.54 0.00 0.00 174.62 174.32 1fe8 s LEU 154 N -0.57 1.88 0.17 4.79 0.20 -1.26 -0.74 118.68 123.15 1fe8 s LEU 154 Ca 0.09 0.02 -0.07 0.00 0.69 0.00 0.00 54.13 54.86 1fe8 s LEU 154 Cb -0.09 0.02 -0.02 0.00 -0.43 0.00 0.00 46.19 45.67 1fe8 s LEU 154 CO -0.01 -0.02 0.24 0.42 -0.29 0.00 0.00 176.35 176.69 1fe8 s THR 155 N 0.12 0.06 -0.16 3.68 -4.23 -0.62 -4.98 115.64 109.52 1fe8 s THR 155 Ca -0.01 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1fe8 s THR 155 Cb -0.01 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1fe8 s THR 155 CO -0.00 -0.28 -0.16 0.26 -0.54 0.00 0.00 174.62 173.90 1fe8 s TRP 156 N -4.01 2.77 -1.43 3.99 0.52 -1.26 -1.16 118.94 118.35 1fe8 s TRP 156 Ca 0.21 -1.14 -0.07 0.00 0.02 0.00 0.00 56.10 55.12 1fe8 s TRP 156 Cb 0.04 -1.89 0.04 0.00 -1.15 0.00 0.00 33.47 30.52 1fe8 s TRP 156 CO 0.02 -0.53 0.83 0.09 0.02 0.00 0.00 176.95 177.38 1fe8 n ASN 157 N 4.13 -2.95 -1.92 2.95 4.13 -0.04 -1.61 115.26 119.96 1fe8 n ASN 157 Ca -0.19 -0.81 -0.15 0.00 1.68 0.00 0.00 54.58 55.11 1fe8 n ASN 157 Cb 0.52 -3.90 -0.04 0.00 -1.54 0.00 0.00 39.78 34.82 1fe8 n ASN 157 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1fe8 n SER 158 N -2.94 -4.16 0.00 6.41 7.64 -1.26 -0.69 113.62 118.63 1fe8 n SER 158 Ca -0.13 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1fe8 n SER 158 Cb 0.60 -3.66 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 1fe8 n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fe8 n GLY 159 N -0.56 1.79 0.15 0.23 0.00 -0.63 -4.96 105.19 101.19 1fe8 n GLY 159 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1fe8 n GLY 159 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1fe8 h SER 160 N 0.00 -0.31 -3.53 1.61 0.87 -0.75 -3.35 113.55 108.10 1fe8 h SER 160 Ca 0.00 0.10 -0.66 0.00 -1.23 0.00 0.00 61.79 59.99 1fe8 h SER 160 Cb 0.00 0.20 -0.16 0.00 -0.44 0.00 0.00 62.40 62.00 1fe8 h SER 160 CO 0.00 -0.11 0.09 -0.76 -0.53 0.00 0.00 176.83 175.52 1fe8 s LEU 161 N -10.52 4.60 -0.05 2.23 1.43 -0.95 -4.84 118.68 110.56 1fe8 s LEU 161 Ca -0.14 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1fe8 s LEU 161 Cb 0.13 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 1fe8 s LEU 161 CO 0.70 -0.79 -0.02 -1.54 0.23 0.00 0.00 176.35 174.93 1fe8 n SER 162 N 6.21 3.66 -4.78 2.29 3.41 -1.26 -4.32 113.62 118.83 1fe8 n SER 162 Ca -0.03 -0.02 -0.37 0.00 -0.26 0.00 0.00 58.87 58.20 1fe8 n SER 162 Cb 0.47 0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 1fe8 n SER 162 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fe8 s SER 163 N -4.07 7.14 -0.05 4.04 0.15 -1.26 -3.57 113.70 116.07 1fe8 s SER 163 Ca -0.05 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.52 1fe8 s SER 163 Cb 0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1fe8 s SER 163 CO 0.17 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1fe8 n GLY 164 N 0.48 0.47 3.86 9.45 0.00 -1.26 -4.74 105.19 113.45 1fe8 n GLY 164 Ca 0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1fe8 n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fe8 s VAL 165 N -1.96 5.39 -0.18 1.61 1.01 -1.23 -0.62 120.40 124.42 1fe8 s VAL 165 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1fe8 s VAL 165 Cb 0.00 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1fe8 s VAL 165 CO 0.00 0.61 0.06 -1.00 0.00 0.00 0.00 175.10 174.78 1fe8 s HIS 166 N -0.97 0.57 -0.25 5.22 3.76 -0.45 -4.99 115.29 118.19 1fe8 s HIS 166 Ca 0.15 -0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 54.45 1fe8 s HIS 166 Cb -0.12 -0.84 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 1fe8 s HIS 166 CO 0.04 -0.55 0.03 0.99 -0.85 0.00 0.00 174.74 174.40 1fe8 s THR 167 N 2.01 3.85 0.21 1.30 2.01 -1.26 -0.48 115.64 123.28 1fe8 s THR 167 Ca 0.01 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 1fe8 s THR 167 Cb -0.16 -2.84 -0.08 0.00 0.01 0.00 0.00 72.50 69.43 1fe8 s THR 167 CO -0.08 0.30 0.67 -0.36 -0.69 0.00 0.00 174.62 174.45 1fe8 s PHE 168 N 1.53 3.60 0.48 4.92 0.40 -0.02 -5.00 117.98 123.89 1fe8 s PHE 168 Ca 0.05 1.26 -0.24 0.00 -0.60 0.00 0.00 56.93 57.40 1fe8 s PHE 168 Cb -0.15 -2.53 -0.07 0.00 0.51 0.00 0.00 43.02 40.78 1fe8 s PHE 168 CO 0.01 0.34 1.41 -2.30 0.70 0.00 0.00 175.22 175.37 1fe8 n PRO 169 N 0.61 2.08 -2.13 0.24 -0.02 -1.26 -4.20 135.00 130.33 1fe8 n PRO 169 Ca -0.03 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 1fe8 n PRO 169 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1fe8 n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fe8 s ALA 170 N -1.22 2.99 -0.03 3.55 0.00 -1.26 -4.80 121.76 120.99 1fe8 s ALA 170 Ca 0.64 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.74 1fe8 s ALA 170 Cb -0.44 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 1fe8 s ALA 170 CO 0.55 -0.83 -0.26 0.08 0.00 0.00 0.00 175.76 175.30 1fe8 s VAL 171 N -1.44 2.05 -0.14 0.00 1.01 -0.70 -4.93 120.40 116.26 1fe8 s VAL 171 Ca 0.64 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1fe8 s VAL 171 Cb -0.33 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1fe8 s VAL 171 CO 0.40 0.58 0.02 -0.22 0.00 0.00 0.00 175.10 175.88 1fe8 s LEU 172 N -0.52 3.64 -0.18 3.92 2.96 -1.26 -1.61 118.68 125.62 1fe8 s LEU 172 Ca 0.07 0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.92 1fe8 s LEU 172 Cb -0.11 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.76 1fe8 s LEU 172 CO -0.00 0.26 0.47 0.00 -1.32 0.00 0.00 176.35 175.76 1fe8 s GLN 173 N -0.17 0.51 -1.52 1.98 -2.07 -0.61 -4.92 119.66 112.86 1fe8 s GLN 173 Ca 0.06 0.73 -0.10 0.00 -1.82 0.00 0.00 55.36 54.23 1fe8 s GLN 173 Cb -0.12 0.18 0.07 0.00 -1.09 0.00 0.00 33.01 32.05 1fe8 s GLN 173 CO 0.02 -0.10 0.75 -1.13 -1.32 0.00 0.00 175.29 173.51 1fe8 n SER 174 N 3.33 -2.73 -1.89 12.60 3.41 -1.26 -1.13 113.62 125.94 1fe8 n SER 174 Ca -0.17 -0.91 -0.21 0.00 -0.26 0.00 0.00 58.87 57.33 1fe8 n SER 174 Cb 0.56 -3.38 -0.06 0.00 -0.26 0.00 0.00 64.21 61.07 1fe8 n SER 174 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fe8 n ASP 175 N -2.85 -5.67 -3.98 4.04 8.00 -1.26 -4.98 116.55 109.85 1fe8 n ASP 175 Ca -0.09 0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.55 1fe8 n ASP 175 Cb 0.58 -4.88 -0.15 0.00 -0.02 0.00 0.00 41.12 36.65 1fe8 n ASP 175 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fe8 s LEU 176 N -5.22 1.90 -0.04 0.64 1.43 -0.29 -4.85 118.68 112.26 1fe8 s LEU 176 Ca 0.00 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1fe8 s LEU 176 Cb 0.00 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 1fe8 s LEU 176 CO 0.00 0.07 0.26 -0.31 0.23 0.00 0.00 176.35 176.59 1fe8 s TYR 177 N 0.01 3.62 -0.08 0.29 2.02 -0.26 -1.58 117.35 121.36 1fe8 s TYR 177 Ca 0.00 0.67 0.01 0.00 -0.37 0.00 0.00 57.07 57.38 1fe8 s TYR 177 Cb -0.05 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1fe8 s TYR 177 CO -0.00 0.66 -0.08 0.99 -1.57 0.00 0.00 175.55 175.55 1fe8 s THR 178 N -1.15 0.95 0.13 -0.71 2.01 -0.63 -1.15 115.64 115.09 1fe8 s THR 178 Ca 0.22 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.99 1fe8 s THR 178 Cb -0.14 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1fe8 s THR 178 CO 0.11 0.34 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.99 1fe8 s LEU 179 N 1.22 2.39 0.10 4.42 0.20 0.14 -1.71 118.68 125.43 1fe8 s LEU 179 Ca -0.05 -0.80 -0.03 0.00 0.69 0.00 0.00 54.13 53.94 1fe8 s LEU 179 Cb -0.14 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 44.87 1fe8 s LEU 179 CO -0.02 -0.06 0.07 -0.94 -0.29 0.00 0.00 176.35 175.10 1fe8 s SER 180 N -2.40 0.32 -0.10 3.68 1.04 -1.26 -0.42 113.70 114.55 1fe8 s SER 180 Ca 0.11 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 1fe8 s SER 180 Cb -0.06 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1fe8 s SER 180 CO 0.05 -0.70 0.39 -0.55 0.98 0.00 0.00 173.24 173.41 1fe8 s SER 181 N -2.96 -0.36 0.18 7.02 0.15 -0.84 -0.84 113.70 116.05 1fe8 s SER 181 Ca 0.14 0.57 0.08 0.00 0.70 0.00 0.00 55.95 57.44 1fe8 s SER 181 Cb 0.07 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 1fe8 s SER 181 CO -0.05 -0.27 -0.17 -0.94 1.20 0.00 0.00 173.24 173.01 1fe8 s SER 182 N -0.38 2.64 -0.06 5.45 1.04 0.37 -1.21 113.70 121.55 1fe8 s SER 182 Ca -0.05 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 1fe8 s SER 182 Cb -0.03 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 65.97 1fe8 s SER 182 CO 0.02 -0.09 0.13 0.54 0.98 0.00 0.00 173.24 174.83 1fe8 s VAL 183 N -2.41 -0.09 -0.20 5.02 0.11 -0.10 -1.34 120.40 121.40 1fe8 s VAL 183 Ca 0.18 0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.42 1fe8 s VAL 183 Cb -0.04 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 1fe8 s VAL 183 CO 0.07 0.09 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.99 1fe8 s THR 184 N 1.38 3.44 0.20 5.04 2.01 0.21 -0.55 115.64 127.37 1fe8 s THR 184 Ca -0.07 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1fe8 s THR 184 Cb -0.12 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1fe8 s THR 184 CO -0.06 0.45 -0.02 0.68 -0.69 0.00 0.00 174.62 174.99 1fe8 s VAL 185 N 1.12 0.92 0.43 3.82 -7.23 -0.52 -4.60 120.40 114.34 1fe8 s VAL 185 Ca 0.01 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 1fe8 s VAL 185 Cb -0.15 -2.19 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 1fe8 s VAL 185 CO -0.01 -0.44 1.26 0.42 -0.31 0.00 0.00 175.10 176.03 1fe8 s THR 186 N -3.49 2.73 0.20 5.32 -4.23 -1.26 -0.18 115.64 114.73 1fe8 s THR 186 Ca 0.25 0.62 -0.17 0.00 -1.18 0.00 0.00 61.69 61.22 1fe8 s THR 186 Cb 0.05 -3.35 0.18 0.00 1.34 0.00 0.00 72.50 70.73 1fe8 s THR 186 CO 0.06 0.06 1.61 0.28 -0.54 0.00 0.00 174.62 176.09 1fe8 h SER 187 N 2.46 -0.81 0.07 3.99 0.02 0.00 0.13 113.55 119.42 1fe8 h SER 187 Ca -0.50 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1fe8 h SER 187 Cb 1.25 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1fe8 h SER 187 CO 0.62 -0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 174.51 1fe8 n SER 188 N -5.43 0.01 0.09 3.07 3.41 -1.26 -2.28 113.62 111.22 1fe8 n SER 188 Ca 0.06 0.51 -0.22 0.00 -0.26 0.00 0.00 58.87 58.95 1fe8 n SER 188 Cb 0.34 -0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 1fe8 n SER 188 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1fe8 h THR 189 N 0.00 1.05 -4.10 6.66 2.02 -1.10 -3.42 112.91 114.02 1fe8 h THR 189 Ca 0.00 -2.62 -0.48 0.00 0.77 0.00 0.00 66.41 64.09 1fe8 h THR 189 Cb 0.04 2.82 -0.26 0.00 -1.74 0.00 0.00 68.15 69.01 1fe8 h THR 189 CO 0.00 0.84 -0.81 0.86 0.37 0.00 0.00 175.52 176.79 1fe8 s TRP 190 N -2.59 1.34 -1.70 3.16 -0.00 -0.97 0.17 118.94 118.35 1fe8 s TRP 190 Ca -0.13 -0.33 0.25 0.00 -0.00 0.00 0.00 56.10 55.89 1fe8 s TRP 190 Cb 0.05 -0.81 1.38 0.00 -0.00 0.00 0.00 33.47 34.09 1fe8 s TRP 190 CO 0.87 0.03 1.85 -0.35 -0.00 0.00 0.00 176.95 179.36 1fe8 n PRO 191 N 2.09 0.57 -0.25 5.86 -0.04 -1.26 -4.77 135.00 137.19 1fe8 n PRO 191 Ca -0.17 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1fe8 n PRO 191 Cb 0.55 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.64 1fe8 n PRO 191 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1fe8 n SER 192 N -1.15 -0.21 -4.93 3.54 7.64 -1.21 -4.40 113.62 112.90 1fe8 n SER 192 Ca 0.15 1.23 -0.19 0.00 1.01 0.00 0.00 58.87 61.06 1fe8 n SER 192 Cb 0.14 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1fe8 n SER 192 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1fe8 s GLN 193 N -5.82 2.63 0.09 1.43 2.00 0.13 -5.10 119.66 115.02 1fe8 s GLN 193 Ca -0.10 -1.44 -0.15 0.00 -2.00 0.00 0.00 55.36 51.67 1fe8 s GLN 193 Cb 0.20 -2.51 -0.06 0.00 0.80 0.00 0.00 33.01 31.43 1fe8 s GLN 193 CO 0.56 -0.24 0.50 0.45 -0.50 0.00 0.00 175.29 176.06 1fe8 s SER 194 N -4.22 6.83 -0.10 6.67 0.15 -1.26 -4.73 113.70 117.04 1fe8 s SER 194 Ca 0.51 1.04 -0.03 0.00 0.70 0.00 0.00 55.95 58.16 1fe8 s SER 194 Cb -0.06 -2.27 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1fe8 s SER 194 CO 0.30 0.19 0.15 -0.63 1.20 0.00 0.00 173.24 174.45 1fe8 s ILE 195 N -1.31 -0.24 0.07 6.45 1.01 -1.26 -4.99 121.20 120.94 1fe8 s ILE 195 Ca 0.32 0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.29 1fe8 s ILE 195 Cb -0.16 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1fe8 s ILE 195 CO 0.18 0.07 -0.16 -0.89 0.00 0.00 0.00 174.94 174.13 1fe8 s THR 196 N 2.27 1.32 -0.28 2.92 2.01 -1.26 -0.44 115.64 122.17 1fe8 s THR 196 Ca 0.04 -1.32 -0.05 0.00 0.31 0.00 0.00 61.69 60.67 1fe8 s THR 196 Cb -0.13 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.18 1fe8 s THR 196 CO -0.06 -0.12 0.03 0.00 -0.69 0.00 0.00 174.62 173.78 1fe8 s ASN 198 N 1.42 6.70 -0.01 0.00 -0.87 -0.31 -3.07 114.94 118.80 1fe8 s ASN 198 Ca 0.01 0.63 0.05 0.00 -1.57 0.00 0.00 52.86 51.98 1fe8 s ASN 198 Cb -0.17 -2.46 -0.03 0.00 -0.02 0.00 0.00 41.25 38.57 1fe8 s ASN 198 CO 0.00 -0.82 -0.16 -0.69 -2.57 0.00 0.00 177.10 172.87 1fe8 s VAL 199 N 3.40 2.96 -0.05 1.60 1.01 -0.39 -1.58 120.40 127.35 1fe8 s VAL 199 Ca 0.38 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1fe8 s VAL 199 Cb -0.12 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1fe8 s VAL 199 CO 0.17 0.48 0.11 0.00 0.00 0.00 0.00 175.10 175.86 1fe8 s ALA 200 N -0.82 -0.17 -0.55 5.51 0.00 0.08 -0.69 121.76 125.12 1fe8 s ALA 200 Ca 0.13 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1fe8 s ALA 200 Cb -0.11 -0.35 0.18 0.00 0.00 0.00 0.00 23.12 22.84 1fe8 s ALA 200 CO 0.03 -0.13 0.43 1.58 0.00 0.00 0.00 175.76 177.68 1fe8 n HIS 201 N 4.00 1.16 -0.28 0.00 -0.00 -0.63 -0.54 115.22 118.93 1fe8 n HIS 201 Ca -0.24 -3.81 0.10 0.00 0.46 0.00 0.00 57.72 54.23 1fe8 n HIS 201 Cb 0.53 -0.19 0.24 0.00 -0.12 0.00 0.00 29.99 30.45 1fe8 n HIS 201 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1fe8 h PRO 202 N 5.41 0.21 0.00 1.57 0.13 -1.81 -1.27 132.00 136.23 1fe8 h PRO 202 Ca 0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1fe8 h PRO 202 Cb 0.83 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1fe8 h PRO 202 CO 0.55 0.14 0.68 0.00 -0.23 0.00 0.00 178.00 179.14 1fe8 h ALA 203 N 1.73 1.65 0.00 -0.56 0.00 -1.90 1.74 119.26 121.92 1fe8 h ALA 203 Ca 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 1fe8 h ALA 203 Cb 0.95 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.54 1fe8 h ALA 203 CO -0.62 -0.65 -0.76 -1.13 0.00 0.00 0.00 179.25 176.09 1fe8 n SER 204 N -2.51 0.88 -4.02 0.00 3.41 -0.58 -4.94 113.62 105.86 1fe8 n SER 204 Ca -0.01 -2.29 -0.28 0.00 -0.26 0.00 0.00 58.87 56.03 1fe8 n SER 204 Cb 0.70 -0.31 -0.08 0.00 -0.26 0.00 0.00 64.21 64.27 1fe8 n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fe8 n SER 205 N 0.05 0.15 -4.90 4.04 3.41 0.59 -4.90 113.62 112.06 1fe8 n SER 205 Ca 0.06 -1.05 -0.31 0.00 -0.26 0.00 0.00 58.87 57.31 1fe8 n SER 205 Cb 0.93 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 1fe8 n SER 205 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fe8 s THR 206 N -3.80 5.14 -0.30 6.66 2.01 -0.63 -4.94 115.64 119.79 1fe8 s THR 206 Ca 0.19 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 1fe8 s THR 206 Cb -0.11 -3.63 0.18 0.00 0.01 0.00 0.00 72.50 68.95 1fe8 s THR 206 CO 0.84 0.01 0.69 -0.75 -0.69 0.00 0.00 174.62 174.72 1fe8 s LYS 207 N -2.71 0.51 0.25 4.92 2.20 -1.26 -1.61 119.74 122.04 1fe8 s LYS 207 Ca 0.42 0.97 0.09 0.00 -0.36 0.00 0.00 55.97 57.09 1fe8 s LYS 207 Cb -0.12 0.55 -0.05 0.00 -1.51 0.00 0.00 37.83 36.70 1fe8 s LYS 207 CO 0.24 -0.48 -0.13 0.08 -0.36 0.00 0.00 175.35 174.70 1fe8 s VAL 208 N 2.86 1.95 -0.42 4.02 1.01 0.13 -5.00 120.40 124.95 1fe8 s VAL 208 Ca 0.13 -2.24 0.06 0.00 0.00 0.00 0.00 61.98 59.93 1fe8 s VAL 208 Cb -0.14 -2.26 0.20 0.00 0.00 0.00 0.00 36.38 34.19 1fe8 s VAL 208 CO -0.19 -0.44 0.48 0.47 0.00 0.00 0.00 175.10 175.42 1fe8 n ASP 209 N -0.53 -0.79 -4.67 3.32 10.43 -1.26 -1.26 116.55 121.80 1fe8 n ASP 209 Ca -0.06 -2.61 -0.43 0.00 2.57 0.00 0.00 54.79 54.26 1fe8 n ASP 209 Cb 0.61 -0.14 -0.02 0.00 1.84 0.00 0.00 41.12 43.41 1fe8 n ASP 209 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1fe8 s LYS 210 N -0.21 4.30 0.10 -1.24 2.47 -1.17 -4.83 119.74 119.15 1fe8 s LYS 210 Ca 0.33 1.36 -0.16 0.00 -1.56 0.00 0.00 55.97 55.94 1fe8 s LYS 210 Cb 0.09 -3.61 -0.07 0.00 -1.46 0.00 0.00 37.83 32.78 1fe8 s LYS 210 CO -0.16 -0.55 0.53 0.21 0.16 0.00 0.00 175.35 175.55 1fe8 s LYS 211 N 2.89 4.05 -0.44 4.03 2.20 -1.26 -1.41 119.74 129.80 1fe8 s LYS 211 Ca 0.45 0.57 -0.26 0.00 -0.36 0.00 0.00 55.97 56.37 1fe8 s LYS 211 Cb -0.16 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1fe8 s LYS 211 CO 0.09 0.57 0.96 0.42 -0.36 0.00 0.00 175.35 177.04 1fe8 s ILE 212 N -1.27 4.45 -0.05 5.43 -1.09 0.42 -4.93 121.20 124.17 1fe8 s ILE 212 Ca 0.32 0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1fe8 s ILE 212 Cb -0.17 -4.44 -0.03 0.00 -1.58 0.00 0.00 42.46 36.24 1fe8 s ILE 212 CO 0.18 -0.79 0.00 -1.61 -1.23 0.00 0.00 174.94 171.50 1fe8 s GLU 213 N 3.81 2.89 0.76 2.79 0.41 -1.26 -4.69 118.70 123.40 1fe8 s GLU 213 Ca 0.39 -0.50 -0.15 0.00 -0.41 0.00 0.00 54.97 54.30 1fe8 s GLU 213 Cb -0.10 -2.74 0.05 0.00 -1.78 0.00 0.00 34.13 29.57 1fe8 s GLU 213 CO 0.25 0.67 1.23 -2.30 -0.49 0.00 0.00 175.26 174.62 1fe8 n PRO 214 N 1.78 0.47 -3.00 0.39 -0.02 -1.26 -4.80 135.00 128.57 1fe8 n PRO 214 Ca -0.17 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.15 1fe8 n PRO 214 Cb 0.53 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 1fe8 n PRO 214 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fe8 s ARG 215 N -3.87 4.50 0.00 -0.52 0.52 -1.26 -5.12 118.95 113.20 1fe8 s ARG 215 Ca 0.76 1.07 0.30 0.00 -0.52 0.00 0.00 55.73 57.35 1fe8 s ARG 215 Cb -0.32 -3.33 1.55 0.00 0.52 0.00 0.00 34.95 33.37 1fe8 s ARG 215 CO 0.47 0.38 2.03 0.41 0.02 0.00 0.00 175.30 178.61