#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 3.93 -0.07 2.53 1.01 -1.26 -4.30 120.40 122.24 1fe8 s VAL 2 Ca 0.00 1.59 -0.25 0.00 0.00 0.00 0.00 61.98 63.32 1fe8 s VAL 2 Cb 0.00 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.42 1fe8 s VAL 2 CO 0.00 0.24 0.57 -0.75 0.00 0.00 0.00 175.10 175.15 1fe8 s LYS 3 N -0.03 0.90 -0.01 2.72 2.20 0.86 -4.99 119.74 121.38 1fe8 s LYS 3 Ca 0.51 0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1fe8 s LYS 3 Cb -0.29 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1fe8 s LYS 3 CO 0.34 -0.25 0.02 -0.51 -0.36 0.00 0.00 175.35 174.58 1fe8 s LEU 4 N -1.01 1.63 -0.07 5.43 1.02 -1.26 -1.05 118.68 123.38 1fe8 s LEU 4 Ca -0.10 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1fe8 s LEU 4 Cb -0.02 0.00 0.02 0.00 0.02 0.00 0.00 46.19 46.22 1fe8 s LEU 4 CO 0.07 -0.05 -0.04 -0.69 0.02 0.00 0.00 176.35 175.66 1fe8 s VAL 5 N 0.40 0.63 0.13 -1.59 1.01 -0.51 -3.73 120.40 116.75 1fe8 s VAL 5 Ca -0.03 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1fe8 s VAL 5 Cb -0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 1fe8 s VAL 5 CO -0.01 0.27 0.64 -1.10 0.00 0.00 0.00 175.10 174.90 1fe8 s GLN 6 N 1.32 4.24 -0.22 2.72 1.11 -1.26 -1.17 119.66 126.40 1fe8 s GLN 6 Ca -0.04 0.80 0.01 0.00 0.01 0.00 0.00 55.36 56.14 1fe8 s GLN 6 Cb -0.14 -3.12 0.05 0.00 -1.01 0.00 0.00 33.01 28.79 1fe8 s GLN 6 CO -0.02 0.55 -0.09 -1.12 0.01 0.00 0.00 175.29 174.62 1fe8 s SER 7 N -1.32 3.75 0.19 5.90 0.01 0.17 -4.89 113.70 117.51 1fe8 s SER 7 Ca 0.34 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 1fe8 s SER 7 Cb -0.19 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 1fe8 s SER 7 CO 0.21 -0.18 0.12 -0.83 0.41 0.00 0.00 173.24 172.97 1fe8 s GLY 8 N 1.33 1.35 0.06 3.44 0.00 -1.26 -0.73 107.32 111.51 1fe8 s GLY 8 Ca -0.04 -1.65 -0.37 0.00 0.00 0.00 0.00 44.72 42.66 1fe8 s GLY 8 CO -0.07 -1.38 1.53 -0.56 0.00 0.00 0.00 173.10 172.62 1fe8 h PRO 9 N 2.65 -1.26 0.00 2.90 0.13 -1.94 -3.48 132.00 131.00 1fe8 h PRO 9 Ca -0.36 0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1fe8 h PRO 9 Cb 1.24 0.29 0.00 0.00 0.13 0.00 0.00 31.00 32.66 1fe8 h PRO 9 CO 0.54 -0.84 0.00 0.41 -0.23 0.00 0.00 178.00 177.88 1fe8 n GLY 10 N -1.57 3.01 3.06 1.56 0.00 -1.26 -4.99 105.19 104.99 1fe8 n GLY 10 Ca -0.16 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 1.72 -0.01 0.99 2.96 -1.26 0.10 118.68 123.18 1fe8 s LEU 11 Ca 0.00 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1fe8 s LEU 11 Cb 0.00 -0.99 0.00 0.00 0.50 0.00 0.00 46.19 45.70 1fe8 s LEU 11 CO 0.00 0.04 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.36 1fe8 s VAL 12 N 0.75 0.23 0.45 1.68 1.01 0.84 -4.94 120.40 120.43 1fe8 s VAL 12 Ca -0.12 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1fe8 s VAL 12 Cb -0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.90 1fe8 s VAL 12 CO 0.03 0.09 0.96 0.00 0.00 0.00 0.00 175.10 176.17 1fe8 s ALA 13 N 0.19 3.04 0.87 5.51 0.00 -1.26 -1.84 121.76 128.27 1fe8 s ALA 13 Ca -0.02 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 1fe8 s ALA 13 Cb -0.04 -3.15 0.12 0.00 0.00 0.00 0.00 23.12 20.05 1fe8 s ALA 13 CO -0.00 0.02 1.16 -2.14 0.00 0.00 0.00 175.76 174.79 1fe8 s PRO 14 N -3.41 1.29 0.00 0.00 0.02 -1.26 -2.25 135.00 129.39 1fe8 s PRO 14 Ca 0.61 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1fe8 s PRO 14 Cb -0.10 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1fe8 s PRO 14 CO 0.18 -2.43 0.00 0.43 -0.33 0.00 0.00 177.00 174.85 1fe8 n SER 15 N -3.93 0.00 -2.08 2.53 7.64 0.40 -4.90 113.62 113.28 1fe8 n SER 15 Ca 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.99 1fe8 n SER 15 Cb 0.52 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1fe8 n SER 15 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1fe8 n GLN 16 N -1.74 0.01 -4.32 1.43 7.27 -0.96 -4.39 117.38 114.68 1fe8 n GLN 16 Ca 0.00 -0.09 -0.23 0.00 0.07 0.00 0.00 57.00 56.75 1fe8 n GLN 16 Cb 0.00 -0.05 -0.13 0.00 2.41 0.00 0.00 30.24 32.47 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 -1.20 2.41 -0.21 1.69 1.04 -1.26 -3.03 113.70 113.15 1fe8 s SER 17 Ca 0.03 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 55.74 1fe8 s SER 17 Cb -0.00 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1fe8 s SER 17 CO 0.02 0.06 0.04 -0.22 0.98 0.00 0.00 173.24 174.12 1fe8 s LEU 18 N -1.78 3.52 -0.08 2.42 2.96 0.37 -4.97 118.68 121.12 1fe8 s LEU 18 Ca 0.06 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1fe8 s LEU 18 Cb -0.10 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1fe8 s LEU 18 CO 0.04 0.08 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.55 1fe8 s SER 19 N 0.93 2.14 -0.01 3.68 0.01 -1.26 -0.60 113.70 118.59 1fe8 s SER 19 Ca 0.03 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.95 1fe8 s SER 19 Cb -0.14 -0.99 -0.00 0.00 0.21 0.00 0.00 66.02 65.10 1fe8 s SER 19 CO 0.02 0.06 -0.09 -0.63 0.41 0.00 0.00 173.24 173.01 1fe8 s ILE 20 N 0.61 0.78 -0.12 1.44 1.01 -0.39 -4.24 121.20 120.29 1fe8 s ILE 20 Ca -0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1fe8 s ILE 20 Cb -0.16 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1fe8 s ILE 20 CO 0.05 0.23 -0.06 -0.89 0.00 0.00 0.00 174.94 174.27 1fe8 s THR 21 N -0.06 3.75 -0.27 2.92 2.01 0.09 -0.98 115.64 123.10 1fe8 s THR 21 Ca 0.01 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1fe8 s THR 21 Cb -0.06 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.88 1fe8 s THR 21 CO -0.00 0.54 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 1fe8 s THR 23 N 1.39 5.30 0.14 0.00 2.01 -0.32 -0.79 115.64 123.37 1fe8 s THR 23 Ca 0.01 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.27 1fe8 s THR 23 Cb -0.17 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1fe8 s THR 23 CO -0.01 0.25 0.14 -0.69 -0.69 0.00 0.00 174.62 173.61 1fe8 s VAL 24 N 1.71 4.59 -0.28 3.82 1.01 0.21 -1.43 120.40 130.03 1fe8 s VAL 24 Ca 0.08 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1fe8 s VAL 24 Cb -0.16 -3.31 0.09 0.00 0.00 0.00 0.00 36.38 33.00 1fe8 s VAL 24 CO 0.10 -0.05 0.68 -0.94 0.00 0.00 0.00 175.10 174.89 1fe8 s SER 25 N -2.94 -0.97 0.00 3.32 1.04 -0.21 -4.79 113.70 109.15 1fe8 s SER 25 Ca 0.31 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1fe8 s SER 25 Cb -0.11 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.53 1fe8 s SER 25 CO 0.24 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1fe8 n GLY 26 N 4.48 1.99 3.32 7.32 0.00 -1.26 -0.10 105.19 120.94 1fe8 n GLY 26 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.76 0.53 -0.17 1.61 -0.12 -1.26 -4.82 117.98 112.00 1fe8 s PHE 27 Ca 0.00 -0.89 -0.10 0.00 -0.05 0.00 0.00 56.93 55.89 1fe8 s PHE 27 Cb 0.00 -0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 1fe8 s PHE 27 CO 0.00 -0.70 0.17 0.45 -0.05 0.00 0.00 175.22 175.08 1fe8 s SER 28 N -3.00 6.31 0.00 1.98 0.15 -1.26 -4.96 113.70 112.92 1fe8 s SER 28 Ca 0.20 0.36 0.15 0.00 0.70 0.00 0.00 55.95 57.37 1fe8 s SER 28 Cb 0.04 -2.10 0.91 0.00 -1.71 0.00 0.00 66.02 63.15 1fe8 s SER 28 CO 0.02 0.24 1.33 0.18 1.20 0.00 0.00 173.24 176.21 1fe8 n LEU 29 N 3.05 0.00 0.03 3.45 4.77 -1.26 -1.27 117.00 125.77 1fe8 n LEU 29 Ca -0.16 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.77 1fe8 n LEU 29 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1fe8 n LEU 29 CO 0.36 0.00 -0.20 0.74 -1.33 0.00 0.00 177.39 176.96 1fe8 h THR 30 N 0.00 0.93 0.00 -5.08 2.02 -1.93 -3.37 112.91 105.47 1fe8 h THR 30 Ca 0.00 -2.59 -0.18 0.00 0.77 0.00 0.00 66.41 64.41 1fe8 h THR 30 Cb 0.00 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1fe8 h THR 30 CO 0.00 0.53 -1.55 0.41 0.37 0.00 0.00 175.52 175.27 1fe8 n THR 31 N -3.08 1.51 -2.77 3.16 -1.04 -0.49 -4.41 114.28 107.15 1fe8 n THR 31 Ca -0.09 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 1fe8 n THR 31 Cb 0.93 -2.17 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 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 -2.70 3.95 0.71 -1.42 1.51 -0.39 -4.43 117.35 114.57 1fe8 s TYR 32 Ca -0.32 1.87 -0.07 0.00 -1.01 0.00 0.00 57.07 57.54 1fe8 s TYR 32 Cb 0.08 -2.97 0.06 0.00 -0.11 0.00 0.00 41.96 39.02 1fe8 s TYR 32 CO 0.45 0.41 1.03 0.20 -1.11 0.00 0.00 175.55 176.53 1fe8 s GLY 33 N -0.94 1.68 -0.07 0.71 0.00 -0.61 -4.05 107.32 104.04 1fe8 s GLY 33 Ca 0.42 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 44.22 1fe8 s GLY 33 CO 0.31 -0.50 -0.03 0.14 0.00 0.00 0.00 173.10 173.02 1fe8 s VAL 34 N -3.27 0.58 0.20 1.40 1.01 -0.45 0.00 120.40 119.87 1fe8 s VAL 34 Ca 0.60 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1fe8 s VAL 34 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1fe8 s VAL 34 CO 0.45 0.28 0.05 -0.44 0.00 0.00 0.00 175.10 175.44 1fe8 s SER 35 N 1.64 4.96 -0.08 3.32 0.01 -0.15 -1.44 113.70 121.96 1fe8 s SER 35 Ca 0.01 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1fe8 s SER 35 Cb -0.13 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.97 1fe8 s SER 35 CO -0.04 0.06 -0.17 0.26 0.41 0.00 0.00 173.24 173.75 1fe8 s TRP 36 N -1.88 2.66 0.03 2.43 0.52 0.05 -1.18 118.94 121.57 1fe8 s TRP 36 Ca 0.29 -0.52 0.03 0.00 0.02 0.00 0.00 56.10 55.91 1fe8 s TRP 36 Cb -0.09 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 1fe8 s TRP 36 CO 0.20 -0.09 -0.08 0.08 0.02 0.00 0.00 176.95 177.08 1fe8 s VAL 37 N -0.15 0.62 0.07 4.03 1.01 0.71 -0.77 120.40 125.92 1fe8 s VAL 37 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1fe8 s VAL 37 Cb -0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1fe8 s VAL 37 CO 0.04 -0.21 -0.12 0.00 0.00 0.00 0.00 175.10 174.80 1fe8 s ARG 38 N -1.21 0.75 -0.38 2.72 1.70 -0.30 0.10 118.95 122.34 1fe8 s ARG 38 Ca -0.05 -0.94 0.03 0.00 -0.47 0.00 0.00 55.73 54.30 1fe8 s ARG 38 Cb -0.08 -0.66 0.11 0.00 -0.57 0.00 0.00 34.95 33.75 1fe8 s ARG 38 CO 0.01 0.14 0.11 -1.14 -1.08 0.00 0.00 175.30 173.33 1fe8 s GLN 39 N -1.85 1.43 0.87 3.89 0.74 0.74 -0.78 119.66 124.68 1fe8 s GLN 39 Ca -0.03 -1.89 -0.11 0.00 0.05 0.00 0.00 55.36 53.38 1fe8 s GLN 39 Cb -0.09 -2.95 0.11 0.00 1.10 0.00 0.00 33.01 31.18 1fe8 s GLN 39 CO 0.02 -1.00 1.10 -1.25 -0.55 0.00 0.00 175.29 173.60 1fe8 s PRO 40 N 0.76 1.49 0.00 1.67 0.04 -1.26 -1.70 135.00 136.00 1fe8 s PRO 40 Ca 0.12 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1fe8 s PRO 40 Cb -0.20 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1fe8 s PRO 40 CO -0.09 -2.14 0.25 -2.30 0.04 0.00 0.00 177.00 172.76 1fe8 n PRO 41 N -3.85 0.00 -0.69 0.56 -0.02 -1.26 -2.57 135.00 127.17 1fe8 n PRO 41 Ca 0.08 0.25 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1fe8 n PRO 41 Cb 0.54 -0.39 0.20 0.00 -0.02 0.00 0.00 33.50 33.83 1fe8 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fe8 n GLY 42 N -0.88 4.97 1.92 -1.23 0.00 -1.26 -5.03 105.19 103.68 1fe8 n GLY 42 Ca 0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.12 1.32 -2.92 1.61 4.76 -1.06 -5.16 118.16 115.59 1fe8 n LYS 43 Ca 0.27 -1.93 -0.19 0.00 -2.87 0.00 0.00 58.31 53.59 1fe8 n LYS 43 Cb 0.88 0.48 0.05 0.00 -1.84 0.00 0.00 35.03 34.60 1fe8 n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1fe8 s GLY 44 N -2.52 1.82 0.52 0.72 0.00 -1.26 -4.61 107.32 102.00 1fe8 s GLY 44 Ca 0.02 -1.83 -0.22 0.00 0.00 0.00 0.00 44.72 42.68 1fe8 s GLY 44 CO 0.01 -1.48 1.31 1.04 0.00 0.00 0.00 173.10 173.99 1fe8 n LEU 45 N -2.19 5.08 -4.01 0.66 4.77 -1.26 -4.39 117.00 115.66 1fe8 n LEU 45 Ca 0.12 0.99 -0.20 0.00 -0.03 0.00 0.00 56.01 56.89 1fe8 n LEU 45 Cb 0.60 -1.55 -0.15 0.00 -2.33 0.00 0.00 43.42 39.99 1fe8 n LEU 45 CO 0.40 -0.68 -0.44 -1.61 -1.33 0.00 0.00 177.39 173.73 1fe8 s GLU 46 N -2.73 0.94 -0.07 3.23 2.02 0.04 -4.98 118.70 117.14 1fe8 s GLU 46 Ca 0.70 -0.31 -0.22 0.00 0.02 0.00 0.00 54.97 55.15 1fe8 s GLU 46 Cb -0.43 -0.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 1fe8 s GLU 46 CO 0.51 0.13 0.66 -0.46 0.02 0.00 0.00 175.26 176.12 1fe8 s TRP 47 N 0.13 3.57 -0.27 1.61 -0.00 -1.26 -1.15 118.94 121.56 1fe8 s TRP 47 Ca -0.02 1.19 -0.15 0.00 -0.00 0.00 0.00 56.10 57.12 1fe8 s TRP 47 Cb -0.08 -2.76 -0.12 0.00 -0.00 0.00 0.00 33.47 30.51 1fe8 s TRP 47 CO 0.00 0.11 -0.33 1.28 -0.00 0.00 0.00 176.95 178.01 1fe8 n LEU 48 N 3.74 1.95 0.00 5.86 4.77 0.05 -4.73 117.00 128.65 1fe8 n LEU 48 Ca -0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1fe8 n LEU 48 Cb 0.51 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1fe8 n LEU 48 CO 0.46 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1fe8 n GLY 49 N 1.27 -1.06 3.33 -0.72 0.00 -1.20 -0.17 105.19 106.64 1fe8 n GLY 49 Ca -0.52 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.00 0.05 -0.14 1.61 0.11 -0.35 -0.77 120.40 118.90 1fe8 s VAL 50 Ca 0.00 -0.41 -0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1fe8 s VAL 50 Cb 0.00 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1fe8 s VAL 50 CO 0.00 -0.23 -0.09 -0.51 -3.33 0.00 0.00 175.10 170.95 1fe8 s ILE 51 N -2.30 1.23 0.85 7.04 2.07 -0.52 -1.79 121.20 127.78 1fe8 s ILE 51 Ca -0.06 -0.53 -0.12 0.00 -1.41 0.00 0.00 60.65 58.52 1fe8 s ILE 51 Cb -0.01 -1.28 0.10 0.00 0.13 0.00 0.00 42.46 41.40 1fe8 s ILE 51 CO -0.01 0.30 1.14 0.26 -1.91 0.00 0.00 174.94 174.72 1fe8 s TRP 52 N 1.61 2.76 0.30 3.50 0.52 0.57 -1.34 118.94 126.86 1fe8 s TRP 52 Ca 0.03 0.88 0.07 0.00 0.02 0.00 0.00 56.10 57.10 1fe8 s TRP 52 Cb -0.14 -3.36 0.77 0.00 -1.15 0.00 0.00 33.47 29.60 1fe8 s TRP 52 CO -0.09 -2.01 1.76 0.78 0.02 0.00 0.00 176.95 177.41 1fe8 h GLY 53 N -1.24 1.80 -0.14 0.98 0.00 -1.73 0.99 103.07 103.73 1fe8 h GLY 53 Ca -0.48 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1fe8 h GLY 53 CO 0.63 -0.13 0.00 2.09 0.00 0.00 0.00 176.54 179.13 1fe8 n ASP 54 N -4.83 0.50 0.00 0.19 3.85 -1.26 -4.51 116.55 110.49 1fe8 n ASP 54 Ca 0.24 -1.80 0.00 0.00 -0.71 0.00 0.00 54.79 52.52 1fe8 n ASP 54 Cb 0.62 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.34 1fe8 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fe8 n GLY 55 N 0.75 1.65 3.76 6.12 0.00 0.34 -5.04 105.19 112.78 1fe8 n GLY 55 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1fe8 n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fe8 s ASN 56 N -2.31 5.89 0.06 1.61 3.84 -1.26 -4.68 114.94 118.09 1fe8 s ASN 56 Ca 0.00 2.78 0.06 0.00 0.21 0.00 0.00 52.86 55.91 1fe8 s ASN 56 Cb 0.00 -2.64 -0.03 0.00 -0.55 0.00 0.00 41.25 38.03 1fe8 s ASN 56 CO 0.00 -1.15 -0.16 0.42 -2.79 0.00 0.00 177.10 173.42 1fe8 s THR 57 N -1.26 1.30 -0.02 -5.21 -4.23 -1.26 -0.32 115.64 104.64 1fe8 s THR 57 Ca 0.62 -1.20 -0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1fe8 s THR 57 Cb -0.41 -1.19 0.03 0.00 1.34 0.00 0.00 72.50 72.27 1fe8 s THR 57 CO 0.51 -0.03 0.04 -0.89 -0.54 0.00 0.00 174.62 173.71 1fe8 s THR 58 N -1.01 -0.05 0.23 3.99 2.01 -0.74 -5.01 115.64 115.06 1fe8 s THR 58 Ca 0.02 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.32 1fe8 s THR 58 Cb -0.09 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 1fe8 s THR 58 CO 0.02 0.08 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.58 1fe8 s TYR 59 N 0.98 2.48 0.39 4.92 1.51 -1.26 -1.21 117.35 125.15 1fe8 s TYR 59 Ca -0.08 -0.28 -0.27 0.00 -1.01 0.00 0.00 57.07 55.43 1fe8 s TYR 59 Cb -0.11 -1.15 -0.10 0.00 -0.11 0.00 0.00 41.96 40.48 1fe8 s TYR 59 CO -0.03 0.59 1.42 -1.58 -1.11 0.00 0.00 175.55 174.84 1fe8 s HIS 60 N -2.05 2.66 0.26 2.71 5.65 0.76 -4.82 115.29 120.45 1fe8 s HIS 60 Ca 0.27 1.26 -0.03 0.00 0.25 0.00 0.00 55.06 56.80 1fe8 s HIS 60 Cb -0.07 -3.90 0.54 0.00 -1.18 0.00 0.00 32.58 27.97 1fe8 s HIS 60 CO 0.15 -2.69 1.64 1.03 -0.65 0.00 0.00 174.74 174.22 1fe8 h SER 61 N 2.86 -0.19 0.00 9.88 0.87 -1.96 0.12 113.55 125.13 1fe8 h SER 61 Ca -0.50 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1fe8 h SER 61 Cb 1.24 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1fe8 h SER 61 CO 0.63 -0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.77 1fe8 n ALA 62 N -2.84 2.36 -0.21 6.23 0.00 -1.26 -3.35 120.51 121.43 1fe8 n ALA 62 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1fe8 n ALA 62 Cb 0.55 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1fe8 n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fe8 n LEU 63 N -0.84 0.67 -0.17 0.00 4.77 0.39 -4.79 117.00 117.02 1fe8 n LEU 63 Ca 0.12 -0.71 0.17 0.00 -0.03 0.00 0.00 56.01 55.57 1fe8 n LEU 63 Cb 0.06 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.68 1fe8 n LEU 63 CO 0.09 0.17 1.21 0.16 -1.33 0.00 0.00 177.39 177.70 1fe8 h ILE 64 N 0.21 0.75 0.00 -0.08 3.07 -1.50 0.46 117.51 120.42 1fe8 h ILE 64 Ca 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1fe8 h ILE 64 Cb 0.11 0.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.01 1fe8 h ILE 64 CO 0.00 0.07 0.00 0.77 -1.05 0.00 0.00 178.15 177.94 1fe8 h SER 65 N 0.36 0.00 0.00 2.16 4.64 -1.86 -3.36 113.55 115.49 1fe8 h SER 65 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1fe8 h SER 65 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1fe8 h SER 65 CO -0.12 0.00 -0.92 0.54 -0.87 0.00 0.00 176.83 175.46 1fe8 n ARG 66 N -2.36 0.95 -3.60 4.77 1.74 -0.38 -4.98 116.66 112.78 1fe8 n ARG 66 Ca 0.05 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.78 1fe8 n ARG 66 Cb 0.42 -0.96 -0.05 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.90 4.36 -0.11 0.55 2.96 0.15 -2.04 118.68 121.64 1fe8 s LEU 67 Ca 0.00 0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1fe8 s LEU 67 Cb 0.00 -2.88 0.05 0.00 0.50 0.00 0.00 46.19 43.86 1fe8 s LEU 67 CO 0.00 0.20 0.24 -0.55 -1.32 0.00 0.00 176.35 174.93 1fe8 s SER 68 N -1.68 0.03 -0.10 3.68 0.15 -0.69 -4.83 113.70 110.26 1fe8 s SER 68 Ca 0.31 0.53 0.03 0.00 0.70 0.00 0.00 55.95 57.52 1fe8 s SER 68 Cb -0.14 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1fe8 s SER 68 CO 0.17 -0.20 -0.19 -0.63 1.20 0.00 0.00 173.24 173.59 1fe8 s ILE 69 N 1.76 1.72 0.31 6.45 1.01 -1.26 -1.77 121.20 129.42 1fe8 s ILE 69 Ca -0.05 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.85 1fe8 s ILE 69 Cb -0.11 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1fe8 s ILE 69 CO -0.08 0.49 0.22 -0.94 0.00 0.00 0.00 174.94 174.62 1fe8 s SER 70 N 0.67 1.45 0.40 3.58 1.04 -0.46 -4.94 113.70 115.44 1fe8 s SER 70 Ca -0.12 -1.65 -0.14 0.00 0.48 0.00 0.00 55.95 54.51 1fe8 s SER 70 Cb -0.16 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1fe8 s SER 70 CO 0.03 -0.98 0.79 -1.59 0.98 0.00 0.00 173.24 172.47 1fe8 s LYS 71 N -3.67 2.29 -0.31 4.02 -2.85 -1.26 0.99 119.74 118.95 1fe8 s LYS 71 Ca 0.38 -1.51 -0.01 0.00 -1.00 0.00 0.00 55.97 53.83 1fe8 s LYS 71 Cb 0.04 0.62 0.13 0.00 -2.06 0.00 0.00 37.83 36.56 1fe8 s LYS 71 CO 0.22 -1.07 0.24 0.34 0.10 0.00 0.00 175.35 175.18 1fe8 s ASP 72 N -3.10 2.37 0.24 0.03 3.68 -0.35 -4.96 116.67 114.58 1fe8 s ASP 72 Ca 0.17 -1.18 -0.04 0.00 2.13 0.00 0.00 52.55 53.62 1fe8 s ASP 72 Cb -0.05 0.13 0.44 0.00 -1.45 0.00 0.00 42.92 41.99 1fe8 s ASP 72 CO 0.12 -0.38 1.75 0.78 0.13 0.00 0.00 175.17 177.57 1fe8 h ASN 73 N 8.04 0.38 0.05 -0.34 2.35 -1.94 -1.08 115.58 123.05 1fe8 h ASN 73 Ca -0.11 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1fe8 h ASN 73 Cb 1.04 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1fe8 h ASN 73 CO 0.35 0.17 -0.15 0.77 -1.65 0.00 0.00 177.43 176.92 1fe8 h SER 74 N 0.52 0.19 -0.11 5.81 4.64 -1.96 -2.52 113.55 120.13 1fe8 h SER 74 Ca 0.41 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1fe8 h SER 74 Cb 0.56 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1fe8 h SER 74 CO -0.36 0.36 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1fe8 n ARG 75 N -4.27 2.25 -3.69 4.77 1.74 -0.76 -4.97 116.66 111.73 1fe8 n ARG 75 Ca -0.01 -1.84 -0.23 0.00 -0.77 0.00 0.00 57.85 55.00 1fe8 n ARG 75 Cb 0.27 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.17 -2.19 -4.01 0.55 7.64 -0.48 -4.82 113.62 111.49 1fe8 n SER 76 Ca 0.16 -0.87 -0.13 0.00 1.01 0.00 0.00 58.87 59.04 1fe8 n SER 76 Cb 0.56 -3.90 -0.12 0.00 -1.01 0.00 0.00 64.21 59.73 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 -5.93 0.41 0.03 1.43 -0.21 -1.11 -0.62 119.66 113.67 1fe8 s GLN 77 Ca 0.12 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.03 1fe8 s GLN 77 Cb -0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 1fe8 s GLN 77 CO 0.82 0.04 -0.20 0.08 -2.12 0.00 0.00 175.29 173.92 1fe8 s VAL 78 N -1.01 1.57 -0.03 1.09 1.01 0.03 -1.21 120.40 121.85 1fe8 s VAL 78 Ca -0.08 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 60.88 1fe8 s VAL 78 Cb -0.07 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1fe8 s VAL 78 CO -0.00 0.23 -0.25 -0.36 0.00 0.00 0.00 175.10 174.71 1fe8 s PHE 79 N -0.73 2.37 -0.04 5.22 0.40 0.28 -0.61 117.98 124.86 1fe8 s PHE 79 Ca 0.07 -0.46 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 1fe8 s PHE 79 Cb -0.08 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 1fe8 s PHE 79 CO 0.01 -0.05 -0.24 -1.17 0.70 0.00 0.00 175.22 174.47 1fe8 s LEU 80 N -0.57 2.05 -0.11 -0.37 1.98 -0.15 -1.35 118.68 120.15 1fe8 s LEU 80 Ca 0.09 -0.46 -0.04 0.00 -2.89 0.00 0.00 54.13 50.82 1fe8 s LEU 80 Cb -0.10 -1.28 0.06 0.00 0.66 0.00 0.00 46.19 45.52 1fe8 s LEU 80 CO -0.00 0.27 0.23 -0.75 -1.89 0.00 0.00 176.35 174.20 1fe8 s LYS 81 N -0.38 0.11 -0.16 1.98 2.20 -0.73 -1.26 119.74 121.52 1fe8 s LYS 81 Ca 0.04 0.67 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 1fe8 s LYS 81 Cb -0.11 -0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.11 1fe8 s LYS 81 CO 0.01 -0.28 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.34 1fe8 s LEU 82 N 2.29 2.10 0.54 5.43 2.96 0.23 -1.70 118.68 130.53 1fe8 s LEU 82 Ca 0.01 -0.62 0.08 0.00 -0.22 0.00 0.00 54.13 53.39 1fe8 s LEU 82 Cb -0.12 -1.45 0.06 0.00 0.50 0.00 0.00 46.19 45.19 1fe8 s LEU 82 CO -0.08 0.04 0.66 0.20 -1.32 0.00 0.00 176.35 175.86 1fe8 s ASN 83 N 1.02 5.05 -1.37 3.68 0.01 -0.87 -0.48 114.94 121.97 1fe8 s ASN 83 Ca -0.02 -0.89 -0.08 0.00 -0.71 0.00 0.00 52.86 51.16 1fe8 s ASN 83 Cb -0.14 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.71 1fe8 s ASN 83 CO -0.06 -1.20 0.42 -1.20 -1.51 0.00 0.00 177.10 173.55 1fe8 n SER 84 N -2.06 -1.33 -4.77 -1.22 7.64 -1.23 -4.88 113.62 105.76 1fe8 n SER 84 Ca 0.10 -1.11 -0.35 0.00 1.01 0.00 0.00 58.87 58.52 1fe8 n SER 84 Cb 0.62 -2.59 0.02 0.00 -1.01 0.00 0.00 64.21 61.24 1fe8 n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1fe8 s LEU 85 N -7.05 3.68 0.30 -3.43 1.43 -1.17 -4.73 118.68 107.71 1fe8 s LEU 85 Ca 0.14 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.48 1fe8 s LEU 85 Cb -0.06 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.52 1fe8 s LEU 85 CO 0.92 -1.38 0.08 -1.00 0.23 0.00 0.00 176.35 175.20 1fe8 s HIS 86 N -1.80 1.75 0.53 0.29 3.76 -1.26 -0.45 115.29 118.12 1fe8 s HIS 86 Ca 0.73 -1.09 0.37 0.00 -0.15 0.00 0.00 55.06 54.93 1fe8 s HIS 86 Cb -0.25 -1.09 2.00 0.00 1.11 0.00 0.00 32.58 34.35 1fe8 s HIS 86 CO 0.30 -0.18 2.25 1.79 -0.85 0.00 0.00 174.74 178.05 1fe8 h THR 87 N 2.23 0.21 0.00 1.30 1.35 -1.98 -0.51 112.91 115.51 1fe8 h THR 87 Ca -0.39 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1fe8 h THR 87 Cb 1.25 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1fe8 h THR 87 CO 0.64 0.02 0.08 -0.78 -0.25 0.00 0.00 175.52 175.24 1fe8 h ASP 88 N 0.00 0.00 -0.61 5.36 -0.00 -1.94 -1.02 116.42 118.21 1fe8 h ASP 88 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1fe8 h ASP 88 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1fe8 h ASP 88 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 179.24 179.71 1fe8 n ASP 89 N -2.55 3.76 -4.69 2.28 8.00 -0.20 -4.92 116.55 118.23 1fe8 n ASP 89 Ca -0.02 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.07 1fe8 n ASP 89 Cb 0.13 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.14 3.63 0.00 -3.53 2.01 -0.39 -4.82 115.64 111.40 1fe8 s THR 90 Ca 0.45 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1fe8 s THR 90 Cb 0.24 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1fe8 s THR 90 CO 0.32 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 1fe8 n ALA 91 N 5.03 0.00 -2.65 7.40 0.00 -0.34 -4.16 120.51 125.78 1fe8 n ALA 91 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 1fe8 n ALA 91 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 5.28 -0.16 0.00 2.01 -0.69 0.42 115.64 120.51 1fe8 s THR 92 Ca 0.00 0.41 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 1fe8 s THR 92 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1fe8 s THR 92 CO 0.00 0.28 0.12 -0.31 -0.69 0.00 0.00 174.62 174.02 1fe8 s TYR 93 N 1.31 3.45 0.10 4.92 1.51 0.12 -0.19 117.35 128.58 1fe8 s TYR 93 Ca 0.12 0.37 0.08 0.00 -1.01 0.00 0.00 57.07 56.64 1fe8 s TYR 93 Cb -0.14 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1fe8 s TYR 93 CO 0.07 0.47 -0.20 0.71 -1.11 0.00 0.00 175.55 175.49 1fe8 s TYR 94 N -0.31 1.76 0.12 2.71 1.51 0.29 -0.75 117.35 122.68 1fe8 s TYR 94 Ca 0.11 -0.42 0.10 0.00 -1.01 0.00 0.00 57.07 55.84 1fe8 s TYR 94 Cb -0.12 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1fe8 s TYR 94 CO 0.01 0.20 -0.22 0.00 -1.11 0.00 0.00 175.55 174.44 1fe8 s ALA 96 N -1.10 -0.95 0.30 0.00 0.00 -0.33 -1.72 121.76 117.97 1fe8 s ALA 96 Ca 0.16 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 1fe8 s ALA 96 Cb -0.10 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 1fe8 s ALA 96 CO 0.08 -0.20 1.00 0.20 0.00 0.00 0.00 175.76 176.85 1fe8 s GLY 97 N -0.02 2.97 -0.13 0.00 0.00 -0.49 -0.98 107.32 108.67 1fe8 s GLY 97 Ca -0.02 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.41 1fe8 s GLY 97 CO 0.01 1.21 -0.21 -1.31 0.00 0.00 0.00 173.10 172.80 1fe8 s ASN 98 N -1.27 3.22 0.26 1.64 -0.87 0.10 -1.37 114.94 116.66 1fe8 s ASN 98 Ca 0.47 -0.56 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1fe8 s ASN 98 Cb -0.25 -1.46 0.00 0.00 -0.02 0.00 0.00 41.25 39.52 1fe8 s ASN 98 CO 0.32 0.10 0.00 0.00 -2.57 0.00 0.00 177.10 174.95 1fe8 n TYR 99 N 3.92 -2.25 -0.05 2.20 9.36 -1.26 -1.58 117.16 127.50 1fe8 n TYR 99 Ca -0.20 0.40 0.02 0.00 3.32 0.00 0.00 57.90 61.44 1fe8 n TYR 99 Cb 0.52 0.55 -0.16 0.00 -0.63 0.00 0.00 39.34 39.62 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 -3.42 0.00 0.00 2.98 0.53 -1.26 -5.06 117.16 110.93 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 -0.69 0.00 0.00 -1.03 0.00 0.00 39.34 37.62 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 1.53 0.64 3.03 2.72 0.00 -1.26 -4.98 105.19 106.87 1fe8 n GLY 101 Ca -0.16 0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 3.72 -0.18 1.61 2.81 -1.26 -4.08 117.12 119.73 1fe8 n MET 102 Ca 0.00 -4.54 -0.04 0.00 -1.81 0.00 0.00 57.70 51.31 1fe8 n MET 102 Cb 0.00 -2.47 0.05 0.00 -0.71 0.00 0.00 33.22 30.09 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 5.66 0.43 -3.68 7.83 3.45 -1.57 -3.44 116.42 125.10 1fe8 h ASP 103 Ca 0.19 0.02 -0.30 0.00 0.43 0.00 0.00 57.03 57.37 1fe8 h ASP 103 Cb 0.71 -0.06 -0.31 0.00 -0.56 0.00 0.00 39.33 39.11 1fe8 h ASP 103 CO 1.12 0.29 -0.74 -0.31 -1.57 0.00 0.00 179.24 178.03 1fe8 s TYR 104 N -6.13 0.25 0.11 4.55 2.02 -1.21 -4.98 117.35 111.96 1fe8 s TYR 104 Ca -0.13 -0.02 0.07 0.00 -0.37 0.00 0.00 57.07 56.62 1fe8 s TYR 104 Cb 0.14 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1fe8 s TYR 104 CO 0.74 -0.06 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.99 1fe8 s TRP 105 N 0.42 2.75 0.76 2.71 0.52 -1.26 -1.40 118.94 123.43 1fe8 s TRP 105 Ca -0.04 -0.15 -0.08 0.00 0.02 0.00 0.00 56.10 55.85 1fe8 s TRP 105 Cb -0.07 -1.43 0.10 0.00 -1.15 0.00 0.00 33.47 30.93 1fe8 s TRP 105 CO -0.01 0.44 1.07 0.20 0.02 0.00 0.00 176.95 178.67 1fe8 s GLY 106 N -2.29 1.71 0.15 0.98 0.00 -0.70 -4.49 107.32 102.68 1fe8 s GLY 106 Ca 0.22 -1.10 0.23 0.00 0.00 0.00 0.00 44.72 44.08 1fe8 s GLY 106 CO 0.14 -0.60 1.71 0.61 0.00 0.00 0.00 173.10 174.97 1fe8 n GLN 107 N -3.07 0.14 0.00 2.90 -0.00 -1.24 -4.80 117.38 111.30 1fe8 n GLN 107 Ca 0.10 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.37 1fe8 n GLN 107 Cb 0.60 -1.72 0.00 0.00 -0.00 0.00 0.00 30.24 29.13 1fe8 n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fe8 n GLY 108 N 0.60 -0.68 2.99 2.61 0.00 -1.26 -5.03 105.19 104.42 1fe8 n GLY 108 Ca 0.04 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 1fe8 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fe8 s THR 109 N -2.83 1.28 -0.12 2.61 2.01 0.07 -4.89 115.64 113.78 1fe8 s THR 109 Ca 0.00 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 1fe8 s THR 109 Cb 0.00 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1fe8 s THR 109 CO 0.00 0.40 1.05 -0.55 -0.69 0.00 0.00 174.62 174.83 1fe8 s SER 110 N 1.32 7.19 -0.13 3.53 0.15 -1.26 0.16 113.70 124.65 1fe8 s SER 110 Ca -0.01 1.56 0.02 0.00 0.70 0.00 0.00 55.95 58.22 1fe8 s SER 110 Cb -0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1fe8 s SER 110 CO -0.05 -0.51 -0.20 -0.69 1.20 0.00 0.00 173.24 172.99 1fe8 s VAL 111 N 2.25 2.33 -0.19 4.45 1.01 0.17 -4.34 120.40 126.08 1fe8 s VAL 111 Ca 0.49 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1fe8 s VAL 111 Cb -0.19 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1fe8 s VAL 111 CO 0.17 0.54 0.02 -0.89 0.00 0.00 0.00 175.10 174.94 1fe8 s THR 112 N 0.65 4.24 -0.35 3.92 2.01 0.12 -1.20 115.64 125.03 1fe8 s THR 112 Ca -0.10 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 1fe8 s THR 112 Cb -0.16 -2.91 0.04 0.00 0.01 0.00 0.00 72.50 69.49 1fe8 s THR 112 CO 0.02 0.44 0.13 -0.69 -0.69 0.00 0.00 174.62 173.83 1fe8 s VAL 113 N 0.71 3.87 -0.01 3.82 1.01 -1.25 -0.11 120.40 128.44 1fe8 s VAL 113 Ca 0.01 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 1fe8 s VAL 113 Cb -0.14 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.10 1fe8 s VAL 113 CO 0.02 -0.23 0.69 -0.55 0.00 0.00 0.00 175.10 175.03 1fe8 s SER 114 N 1.50 -0.61 0.07 3.32 0.15 -0.77 -4.31 113.70 113.05 1fe8 s SER 114 Ca -0.01 0.51 0.24 0.00 0.70 0.00 0.00 55.95 57.39 1fe8 s SER 114 Cb -0.20 0.53 0.28 0.00 -1.71 0.00 0.00 66.02 64.93 1fe8 s SER 114 CO 0.03 -0.68 1.25 -1.20 1.20 0.00 0.00 173.24 173.84 1fe8 n SER 115 N 0.56 0.64 -4.51 5.45 7.64 -1.26 -4.22 113.62 117.92 1fe8 n SER 115 Ca -0.18 -0.06 -0.45 0.00 1.01 0.00 0.00 58.87 59.20 1fe8 n SER 115 Cb 0.59 0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 64.15 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 -1.76 -1.20 -2.02 -0.43 0.00 -1.26 -4.89 120.51 108.94 1fe8 n ALA 116 Ca 0.03 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1fe8 n ALA 116 Cb 0.42 -1.86 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 1fe8 n ALA 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1fe8 s GLU 117 N -1.40 4.63 0.04 0.00 2.12 -1.26 -4.98 118.70 117.85 1fe8 s GLU 117 Ca 0.61 1.69 -0.30 0.00 0.36 0.00 0.00 54.97 57.32 1fe8 s GLU 117 Cb -0.75 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 30.29 1fe8 s GLU 117 CO 0.59 0.14 1.61 0.99 -0.54 0.00 0.00 175.26 178.05 1fe8 s THR 118 N -0.41 3.23 -0.05 -1.70 2.01 -1.26 -4.73 115.64 112.72 1fe8 s THR 118 Ca 0.48 0.62 0.02 0.00 0.31 0.00 0.00 61.69 63.12 1fe8 s THR 118 Cb -0.29 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1fe8 s THR 118 CO 0.35 -0.01 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.28 1fe8 s THR 119 N 2.80 0.93 0.62 -0.82 2.01 0.93 -4.93 115.64 117.19 1fe8 s THR 119 Ca 0.72 -0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 1fe8 s THR 119 Cb -0.37 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1fe8 s THR 119 CO 0.31 0.31 1.13 0.00 -0.69 0.00 0.00 174.62 175.68 1fe8 s ALA 120 N 0.66 2.52 0.34 7.40 0.00 -1.26 -1.01 121.76 130.41 1fe8 s ALA 120 Ca -0.12 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 1fe8 s ALA 120 Cb -0.15 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1fe8 s ALA 120 CO 0.02 -1.15 0.61 -1.25 0.00 0.00 0.00 175.76 173.99 1fe8 s PRO 121 N -3.78 3.61 -0.20 0.00 0.04 -1.26 -4.34 135.00 129.07 1fe8 s PRO 121 Ca 0.70 0.02 -0.10 0.00 0.04 0.00 0.00 61.00 61.65 1fe8 s PRO 121 Cb -0.23 -2.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 1fe8 s PRO 121 CO 0.37 0.11 0.15 -1.12 0.04 0.00 0.00 177.00 176.54 1fe8 s SER 122 N -3.47 6.21 -0.28 6.66 0.01 -0.20 -4.93 113.70 117.70 1fe8 s SER 122 Ca 0.44 0.23 -0.07 0.00 1.31 0.00 0.00 55.95 57.87 1fe8 s SER 122 Cb -0.10 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1fe8 s SER 122 CO 0.33 0.16 0.06 -0.69 0.41 0.00 0.00 173.24 173.52 1fe8 s VAL 123 N 0.48 3.95 -0.12 3.43 1.01 -1.26 -1.48 120.40 126.42 1fe8 s VAL 123 Ca 0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1fe8 s VAL 123 Cb -0.12 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1fe8 s VAL 123 CO -0.01 0.16 -0.07 -0.31 0.00 0.00 0.00 175.10 174.87 1fe8 s TYR 124 N 1.51 2.93 0.38 5.22 2.02 0.76 -4.96 117.35 125.22 1fe8 s TYR 124 Ca 0.03 -0.29 -0.24 0.00 -0.37 0.00 0.00 57.07 56.21 1fe8 s TYR 124 Cb -0.17 -1.84 -0.10 0.00 -0.40 0.00 0.00 41.96 39.45 1fe8 s TYR 124 CO 0.02 0.04 0.99 -1.59 -1.57 0.00 0.00 175.55 173.44 1fe8 s LYS 125 N -0.03 4.30 -0.30 -0.62 -2.85 -1.26 -0.25 119.74 118.74 1fe8 s LYS 125 Ca -0.01 1.37 0.02 0.00 -1.00 0.00 0.00 55.97 56.35 1fe8 s LYS 125 Cb -0.14 -2.54 0.08 0.00 -2.06 0.00 0.00 37.83 33.18 1fe8 s LYS 125 CO 0.03 0.01 0.01 -0.51 0.10 0.00 0.00 175.35 174.99 1fe8 s LEU 126 N -2.59 3.54 0.08 2.77 1.43 0.41 -4.85 118.68 119.46 1fe8 s LEU 126 Ca 0.56 -1.71 0.02 0.00 -1.03 0.00 0.00 54.13 51.98 1fe8 s LEU 126 Cb -0.18 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1fe8 s LEU 126 CO 0.23 -0.33 0.12 -1.61 0.23 0.00 0.00 176.35 175.00 1fe8 s GLU 127 N 1.19 3.06 1.09 1.70 8.01 -1.26 -1.08 118.70 131.42 1fe8 s GLU 127 Ca 0.04 -0.62 -0.12 0.00 0.01 0.00 0.00 54.97 54.28 1fe8 s GLU 127 Cb -0.19 -2.82 0.24 0.00 -4.31 0.00 0.00 34.13 27.05 1fe8 s GLU 127 CO -0.11 0.58 1.05 -2.14 0.01 0.00 0.00 175.26 174.66 1fe8 s PRO 128 N -2.46 -0.37 0.13 0.39 0.02 -1.26 -4.93 135.00 126.53 1fe8 s PRO 128 Ca 0.31 0.84 0.22 0.00 0.02 0.00 0.00 61.00 62.38 1fe8 s PRO 128 Cb -0.12 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.69 1fe8 s PRO 128 CO 0.24 -3.35 0.89 0.28 -0.33 0.00 0.00 177.00 174.73 1fe8 n VAL 129 N -4.66 0.59 -0.13 3.83 0.31 -1.26 -4.48 118.33 112.54 1fe8 n VAL 129 Ca 0.04 -0.56 0.12 0.00 -0.01 0.00 0.00 64.34 63.93 1fe8 n VAL 129 Cb 0.55 -0.33 0.20 0.00 -0.91 0.00 0.00 33.84 33.35 1fe8 n VAL 129 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1fe8 n SER 136 N -2.63 0.09 -4.27 4.52 2.88 -1.26 -5.01 113.62 107.94 1fe8 n SER 136 Ca -0.03 0.49 -0.15 0.00 -1.33 0.00 0.00 58.87 57.85 1fe8 n SER 136 Cb 0.60 -0.24 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 1fe8 n SER 136 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1fe8 s SER 137 N -4.66 1.41 0.04 -3.46 1.04 -1.26 -2.01 113.70 104.80 1fe8 s SER 137 Ca -0.03 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.23 1fe8 s SER 137 Cb 0.10 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1fe8 s SER 137 CO 0.26 -0.55 -0.06 0.54 0.98 0.00 0.00 173.24 174.41 1fe8 s VAL 138 N -3.58 0.40 -0.11 5.02 0.11 0.18 -4.72 120.40 117.71 1fe8 s VAL 138 Ca 0.26 -1.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1fe8 s VAL 138 Cb 0.06 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1fe8 s VAL 138 CO 0.06 -0.49 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.29 1fe8 s THR 139 N -1.70 2.81 0.33 5.04 2.01 -1.26 -0.74 115.64 122.13 1fe8 s THR 139 Ca -0.09 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.24 1fe8 s THR 139 Cb -0.08 -2.15 -0.06 0.00 0.01 0.00 0.00 72.50 70.23 1fe8 s THR 139 CO -0.01 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.65 1fe8 s LEU 140 N 0.18 2.84 0.24 4.42 1.02 -0.03 -4.50 118.68 122.84 1fe8 s LEU 140 Ca -0.09 -1.07 -0.05 0.00 0.02 0.00 0.00 54.13 52.93 1fe8 s LEU 140 Cb -0.15 -1.19 -0.02 0.00 0.02 0.00 0.00 46.19 44.85 1fe8 s LEU 140 CO 0.06 -0.19 0.31 -0.83 0.02 0.00 0.00 176.35 175.72 1fe8 s GLY 141 N -3.65 1.15 -0.08 -3.19 0.00 -0.24 -1.04 107.32 100.27 1fe8 s GLY 141 Ca 0.33 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.63 1fe8 s GLY 141 CO 0.18 -1.06 0.15 0.00 0.00 0.00 0.00 173.10 172.37 1fe8 s LEU 143 N 1.78 3.24 -0.37 0.00 0.20 0.66 -1.51 118.68 122.67 1fe8 s LEU 143 Ca -0.03 -0.27 -0.06 0.00 0.69 0.00 0.00 54.13 54.46 1fe8 s LEU 143 Cb -0.12 -1.86 0.07 0.00 -0.43 0.00 0.00 46.19 43.85 1fe8 s LEU 143 CO -0.06 -0.03 0.15 -0.69 -0.29 0.00 0.00 176.35 175.44 1fe8 s VAL 144 N 1.56 3.70 0.11 1.68 1.01 0.86 -0.17 120.40 129.15 1fe8 s VAL 144 Ca 0.06 -1.43 0.09 0.00 0.00 0.00 0.00 61.98 60.70 1fe8 s VAL 144 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1fe8 s VAL 144 CO 0.01 -0.37 -0.22 -0.75 0.00 0.00 0.00 175.10 173.78 1fe8 s LYS 145 N 1.34 1.17 -0.84 2.72 2.20 -0.55 -0.14 119.74 125.64 1fe8 s LYS 145 Ca 0.01 -1.20 -0.01 0.00 -0.36 0.00 0.00 55.97 54.42 1fe8 s LYS 145 Cb -0.21 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.63 1fe8 s LYS 145 CO 0.01 0.34 0.08 0.41 -0.36 0.00 0.00 175.35 175.83 1fe8 n GLY 146 N 1.04 -0.01 3.86 5.54 0.00 -0.66 -1.04 105.19 113.92 1fe8 n GLY 146 Ca -0.19 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.60 2.84 -0.29 1.61 -0.85 -1.11 -4.54 117.35 112.41 1fe8 s TYR 147 Ca 0.04 -0.36 -0.23 0.00 -0.52 0.00 0.00 57.07 56.00 1fe8 s TYR 147 Cb -0.02 -1.92 0.16 0.00 0.38 0.00 0.00 41.96 40.56 1fe8 s TYR 147 CO 0.05 0.08 1.19 0.12 -1.52 0.00 0.00 175.55 175.46 1fe8 s PHE 148 N -2.36 -0.31 0.28 -3.49 5.36 -0.18 -0.71 117.98 116.58 1fe8 s PHE 148 Ca 0.43 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 1fe8 s PHE 148 Cb -0.05 0.37 0.05 0.00 -0.34 0.00 0.00 43.02 43.06 1fe8 s PHE 148 CO 0.27 -0.15 0.39 -0.35 -1.46 0.00 0.00 175.22 173.92 1fe8 n PRO 149 N 2.30 0.48 -1.58 10.12 -0.04 -1.26 -0.05 135.00 144.97 1fe8 n PRO 149 Ca -0.13 -1.17 -0.32 0.00 -0.04 0.00 0.00 63.50 61.84 1fe8 n PRO 149 Cb 0.56 -0.22 0.06 0.00 -0.04 0.00 0.00 33.50 33.86 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 -3.37 2.70 0.35 0.54 2.02 -1.26 -4.76 118.70 114.92 1fe8 s GLU 150 Ca 0.27 1.20 0.03 0.00 0.02 0.00 0.00 54.97 56.48 1fe8 s GLU 150 Cb -0.02 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.29 1fe8 s GLU 150 CO 0.17 -1.30 0.26 -0.35 0.02 0.00 0.00 175.26 174.06 1fe8 n PRO 151 N -2.90 0.98 -4.18 0.39 -0.04 -1.26 -4.92 135.00 123.06 1fe8 n PRO 151 Ca 0.09 -2.19 -0.12 0.00 -0.04 0.00 0.00 63.50 61.24 1fe8 n PRO 151 Cb 0.53 0.24 -0.10 0.00 -0.04 0.00 0.00 33.50 34.12 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 -1.74 0.85 -0.05 0.52 -7.23 -1.26 -4.49 120.40 107.00 1fe8 s VAL 152 Ca 0.19 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1fe8 s VAL 152 Cb -0.02 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1fe8 s VAL 152 CO 0.12 -0.74 -0.21 0.42 -0.31 0.00 0.00 175.10 174.38 1fe8 s THR 153 N -3.15 1.75 -0.01 5.32 -4.23 0.19 -4.96 115.64 110.55 1fe8 s THR 153 Ca 0.10 -0.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1fe8 s THR 153 Cb 0.02 -1.49 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 1fe8 s THR 153 CO -0.02 0.49 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.20 1fe8 s LEU 154 N -0.07 2.00 0.17 4.79 0.20 -1.26 -0.76 118.68 123.75 1fe8 s LEU 154 Ca -0.04 -0.23 -0.04 0.00 0.69 0.00 0.00 54.13 54.51 1fe8 s LEU 154 Cb -0.13 -0.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.94 1fe8 s LEU 154 CO 0.03 0.15 0.17 0.42 -0.29 0.00 0.00 176.35 176.83 1fe8 s THR 155 N -0.24 0.06 -0.16 3.68 -4.23 -0.40 -4.98 115.64 109.36 1fe8 s THR 155 Ca 0.04 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1fe8 s THR 155 Cb -0.06 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.68 1fe8 s THR 155 CO -0.00 -0.27 -0.18 0.26 -0.54 0.00 0.00 174.62 173.89 1fe8 s TRP 156 N -4.05 2.75 -1.30 3.99 0.52 -1.26 -0.88 118.94 118.71 1fe8 s TRP 156 Ca 0.26 -1.26 -0.03 0.00 0.02 0.00 0.00 56.10 55.08 1fe8 s TRP 156 Cb 0.06 -1.88 -0.00 0.00 -1.15 0.00 0.00 33.47 30.50 1fe8 s TRP 156 CO 0.04 -0.59 0.65 0.09 0.02 0.00 0.00 176.95 177.16 1fe8 n ASN 157 N 4.20 -1.67 -2.84 2.95 3.02 0.18 -1.56 115.26 119.54 1fe8 n ASN 157 Ca -0.20 -0.88 -0.18 0.00 -0.03 0.00 0.00 54.58 53.29 1fe8 n ASN 157 Cb 0.51 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 1fe8 n ASN 157 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1fe8 n SER 158 N -3.00 -4.22 0.00 6.41 7.64 -1.26 -1.20 113.62 117.99 1fe8 n SER 158 Ca -0.27 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1fe8 n SER 158 Cb 0.67 -3.52 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 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 -1.04 0.74 0.00 0.23 0.00 -0.60 -4.92 105.19 99.60 1fe8 n GLY 159 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1fe8 n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fe8 n SER 160 N 0.00 0.00 -3.86 1.61 3.41 -0.34 -4.34 113.62 110.10 1fe8 n SER 160 Ca 0.00 -0.81 -0.29 0.00 -0.26 0.00 0.00 58.87 57.51 1fe8 n SER 160 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1fe8 n SER 160 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fe8 s LEU 161 N -1.92 1.83 0.00 1.04 1.43 -1.02 -4.99 118.68 115.04 1fe8 s LEU 161 Ca 0.33 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1fe8 s LEU 161 Cb 0.15 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1fe8 s LEU 161 CO 0.26 -0.24 0.00 -1.54 0.23 0.00 0.00 176.35 175.06 1fe8 n SER 162 N 4.85 1.39 0.12 2.29 3.41 -1.26 -4.21 113.62 120.21 1fe8 n SER 162 Ca -0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.49 1fe8 n SER 162 Cb 0.46 0.05 0.26 0.00 -0.26 0.00 0.00 64.21 64.72 1fe8 n SER 162 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1fe8 h SER 163 N 0.00 0.16 -0.48 4.04 4.64 -1.96 -2.93 113.55 117.03 1fe8 h SER 163 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1fe8 h SER 163 Cb 0.32 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1fe8 h SER 163 CO 0.00 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1fe8 n GLY 164 N -0.25 2.28 3.86 -0.77 0.00 -1.26 -4.94 105.19 104.11 1fe8 n GLY 164 Ca -0.02 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 5.13 -0.21 1.61 1.01 -1.11 -0.93 120.40 123.95 1fe8 s VAL 165 Ca 0.40 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1fe8 s VAL 165 Cb 0.27 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 33.09 1fe8 s VAL 165 CO 0.17 0.40 0.08 -1.00 0.00 0.00 0.00 175.10 174.75 1fe8 s HIS 166 N -1.27 0.61 -0.23 5.22 3.76 0.01 -5.00 115.29 118.40 1fe8 s HIS 166 Ca 0.28 -0.70 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 1fe8 s HIS 166 Cb -0.14 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.61 1fe8 s HIS 166 CO 0.15 -0.62 0.00 0.99 -0.85 0.00 0.00 174.74 174.41 1fe8 s THR 167 N 2.00 3.78 0.23 1.30 2.01 -1.26 -0.12 115.64 123.58 1fe8 s THR 167 Ca 0.03 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.57 1fe8 s THR 167 Cb -0.16 -2.74 -0.07 0.00 0.01 0.00 0.00 72.50 69.54 1fe8 s THR 167 CO -0.14 0.40 0.56 -0.36 -0.69 0.00 0.00 174.62 174.39 1fe8 s PHE 168 N 1.43 3.43 0.37 4.92 0.40 -0.16 -5.01 117.98 123.37 1fe8 s PHE 168 Ca 0.05 0.91 -0.27 0.00 -0.60 0.00 0.00 56.93 57.02 1fe8 s PHE 168 Cb -0.15 -2.29 -0.11 0.00 0.51 0.00 0.00 43.02 40.98 1fe8 s PHE 168 CO -0.00 0.27 1.37 -2.30 0.70 0.00 0.00 175.22 175.26 1fe8 n PRO 169 N -0.09 2.32 -2.34 0.24 -0.02 -1.26 -4.30 135.00 129.55 1fe8 n PRO 169 Ca 0.00 0.82 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 1fe8 n PRO 169 Cb 0.52 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.12 2.76 -0.10 3.55 0.00 -1.26 -4.80 121.76 120.78 1fe8 s ALA 170 Ca 0.56 0.77 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1fe8 s ALA 170 Cb -0.52 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.28 1fe8 s ALA 170 CO 0.62 -0.64 -0.19 0.08 0.00 0.00 0.00 175.76 175.63 1fe8 s VAL 171 N -1.81 1.72 -0.06 0.00 1.01 -0.24 -4.92 120.40 116.10 1fe8 s VAL 171 Ca 0.71 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 1fe8 s VAL 171 Cb -0.22 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1fe8 s VAL 171 CO 0.25 0.48 0.55 -0.22 0.00 0.00 0.00 175.10 176.17 1fe8 s LEU 172 N 0.58 4.35 -0.14 3.92 2.96 -1.26 -1.68 118.68 127.41 1fe8 s LEU 172 Ca -0.15 1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1fe8 s LEU 172 Cb -0.17 -2.83 0.07 0.00 0.50 0.00 0.00 46.19 43.76 1fe8 s LEU 172 CO 0.05 0.04 0.28 -1.58 -1.32 0.00 0.00 176.35 173.82 1fe8 s GLN 173 N 0.23 0.16 -1.27 1.98 2.00 -0.03 -4.92 119.66 117.82 1fe8 s GLN 173 Ca 0.30 0.76 -0.03 0.00 -2.00 0.00 0.00 55.36 54.38 1fe8 s GLN 173 Cb -0.17 -0.03 -0.01 0.00 0.80 0.00 0.00 33.01 33.60 1fe8 s GLN 173 CO 0.14 -0.29 0.71 0.43 -0.50 0.00 0.00 175.29 175.78 1fe8 n SER 174 N 5.35 -2.06 -0.56 6.67 7.64 -1.26 -1.92 113.62 127.49 1fe8 n SER 174 Ca -0.06 -0.85 -0.07 0.00 1.01 0.00 0.00 58.87 58.90 1fe8 n SER 174 Cb 0.50 -4.01 -0.03 0.00 -1.01 0.00 0.00 64.21 59.66 1fe8 n SER 174 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1fe8 n ASP 175 N -3.02 -5.69 -4.13 6.43 9.92 -1.26 -4.97 116.55 113.84 1fe8 n ASP 175 Ca -0.26 0.18 -0.24 0.00 -0.53 0.00 0.00 54.79 53.95 1fe8 n ASP 175 Cb 0.66 -3.83 -0.15 0.00 -0.64 0.00 0.00 41.12 37.16 1fe8 n ASP 175 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1fe8 s LEU 176 N -1.66 2.00 0.06 0.64 1.43 -0.81 -4.78 118.68 115.56 1fe8 s LEU 176 Ca 0.00 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1fe8 s LEU 176 Cb 0.00 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 1fe8 s LEU 176 CO 0.00 0.18 0.26 -0.31 0.23 0.00 0.00 176.35 176.70 1fe8 s TYR 177 N -0.27 3.52 -0.04 0.29 2.02 0.11 -0.85 117.35 122.14 1fe8 s TYR 177 Ca 0.04 0.40 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 1fe8 s TYR 177 Cb -0.07 -1.87 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1fe8 s TYR 177 CO -0.00 0.56 -0.12 0.99 -1.57 0.00 0.00 175.55 175.42 1fe8 s THR 178 N -1.48 1.01 0.03 -0.71 2.01 -0.67 -1.66 115.64 114.17 1fe8 s THR 178 Ca 0.34 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 1fe8 s THR 178 Cb -0.13 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1fe8 s THR 178 CO 0.24 0.31 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.22 1fe8 s LEU 179 N 0.31 2.32 0.12 4.42 0.20 0.80 -1.08 118.68 125.77 1fe8 s LEU 179 Ca -0.06 -0.66 -0.05 0.00 0.69 0.00 0.00 54.13 54.05 1fe8 s LEU 179 Cb -0.11 0.11 -0.02 0.00 -0.43 0.00 0.00 46.19 45.73 1fe8 s LEU 179 CO 0.02 -0.39 0.13 -0.94 -0.29 0.00 0.00 176.35 174.88 1fe8 s SER 180 N -1.94 0.23 -0.16 3.68 1.04 -1.26 -0.10 113.70 115.20 1fe8 s SER 180 Ca -0.08 -0.98 -0.15 0.00 0.48 0.00 0.00 55.95 55.22 1fe8 s SER 180 Cb -0.04 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.44 1fe8 s SER 180 CO -0.04 -0.75 0.42 -0.55 0.98 0.00 0.00 173.24 173.30 1fe8 s SER 181 N -2.97 -0.44 0.11 7.02 0.15 -0.57 -0.99 113.70 116.01 1fe8 s SER 181 Ca 0.16 0.84 0.09 0.00 0.70 0.00 0.00 55.95 57.74 1fe8 s SER 181 Cb 0.06 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.18 1fe8 s SER 181 CO -0.03 -0.15 -0.21 -0.94 1.20 0.00 0.00 173.24 173.10 1fe8 s SER 182 N 0.19 3.66 -0.04 5.45 1.04 0.84 -0.85 113.70 123.99 1fe8 s SER 182 Ca -0.00 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 1fe8 s SER 182 Cb -0.03 -0.44 0.03 0.00 0.10 0.00 0.00 66.02 65.68 1fe8 s SER 182 CO 0.01 0.19 0.01 0.54 0.98 0.00 0.00 173.24 174.97 1fe8 s VAL 183 N -1.08 0.16 -0.25 5.02 0.11 -0.21 -0.80 120.40 123.35 1fe8 s VAL 183 Ca 0.16 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.29 1fe8 s VAL 183 Cb -0.10 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1fe8 s VAL 183 CO 0.08 0.17 0.06 -0.89 -3.33 0.00 0.00 175.10 171.19 1fe8 s THR 184 N 1.38 4.23 0.32 5.04 2.01 -0.11 -0.86 115.64 127.65 1fe8 s THR 184 Ca -0.05 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1fe8 s THR 184 Cb -0.13 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 1fe8 s THR 184 CO -0.03 0.33 0.01 0.68 -0.69 0.00 0.00 174.62 174.93 1fe8 s VAL 185 N 1.60 1.43 0.35 3.82 -7.23 0.08 -4.57 120.40 115.89 1fe8 s VAL 185 Ca 0.06 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 57.94 1fe8 s VAL 185 Cb -0.15 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.01 1fe8 s VAL 185 CO 0.03 -0.11 1.02 0.42 -0.31 0.00 0.00 175.10 176.14 1fe8 s THR 186 N -3.14 3.87 0.53 5.32 -4.23 -1.26 0.52 115.64 117.25 1fe8 s THR 186 Ca 0.34 1.54 0.28 0.00 -1.18 0.00 0.00 61.69 62.66 1fe8 s THR 186 Cb 0.07 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.39 1fe8 s THR 186 CO 0.14 0.11 2.19 0.28 -0.54 0.00 0.00 174.62 176.79 1fe8 h SER 187 N 2.93 0.00 0.43 3.99 0.02 -1.65 0.34 113.55 119.61 1fe8 h SER 187 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1fe8 h SER 187 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1fe8 h SER 187 CO 0.64 0.05 0.00 -1.20 -1.14 0.00 0.00 176.83 175.17 1fe8 n SER 188 N -3.83 0.00 -0.12 3.07 7.64 -1.26 -3.29 113.62 115.82 1fe8 n SER 188 Ca -0.03 0.07 -0.21 0.00 1.01 0.00 0.00 58.87 59.72 1fe8 n SER 188 Cb 0.14 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 1fe8 n SER 188 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1fe8 n THR 189 N -1.32 1.39 -4.85 0.44 -1.04 0.09 -4.83 114.28 104.16 1fe8 n THR 189 Ca 0.09 -0.47 -0.29 0.00 -2.04 0.00 0.00 64.05 61.34 1fe8 n THR 189 Cb 0.17 -1.53 -0.15 0.00 -1.82 0.00 0.00 70.33 67.01 1fe8 n THR 189 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1fe8 s TRP 190 N -2.48 2.23 -1.99 -1.42 -0.00 -1.08 0.80 118.94 114.99 1fe8 s TRP 190 Ca -0.34 -0.41 0.09 0.00 -0.00 0.00 0.00 56.10 55.44 1fe8 s TRP 190 Cb 0.10 -1.33 0.25 0.00 -0.00 0.00 0.00 33.47 32.49 1fe8 s TRP 190 CO 0.52 0.13 1.20 -0.35 -0.00 0.00 0.00 176.95 178.45 1fe8 n PRO 191 N 1.76 1.65 -0.32 5.86 -0.04 -1.26 -4.60 135.00 138.06 1fe8 n PRO 191 Ca -0.17 -1.00 0.03 0.00 -0.04 0.00 0.00 63.50 62.32 1fe8 n PRO 191 Cb 0.52 -1.22 0.22 0.00 -0.04 0.00 0.00 33.50 32.99 1fe8 n PRO 191 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1fe8 h SER 192 N 1.63 0.94 -3.49 3.54 4.64 -1.86 -3.39 113.55 115.56 1fe8 h SER 192 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.65 1fe8 h SER 192 Cb 0.38 -0.20 -0.16 0.00 -0.31 0.00 0.00 62.40 62.10 1fe8 h SER 192 CO 0.00 0.61 -0.66 -1.10 -0.87 0.00 0.00 176.83 174.81 1fe8 s GLN 193 N -5.93 2.80 0.48 4.77 -1.52 0.24 -5.10 119.66 115.39 1fe8 s GLN 193 Ca -0.12 -0.54 -0.20 0.00 -1.95 0.00 0.00 55.36 52.55 1fe8 s GLN 193 Cb 0.20 -2.66 -0.09 0.00 -0.22 0.00 0.00 33.01 30.24 1fe8 s GLN 193 CO 0.80 0.66 1.00 -1.54 -0.25 0.00 0.00 175.29 175.96 1fe8 s SER 194 N -1.09 6.55 -0.06 5.90 1.04 -1.26 -4.42 113.70 120.37 1fe8 s SER 194 Ca 0.15 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.37 1fe8 s SER 194 Cb -0.11 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.49 1fe8 s SER 194 CO 0.05 -0.63 -0.05 -0.63 0.98 0.00 0.00 173.24 172.95 1fe8 s ILE 195 N -2.18 0.66 0.04 -1.02 1.01 -1.26 -5.02 121.20 113.43 1fe8 s ILE 195 Ca 0.64 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.19 1fe8 s ILE 195 Cb -0.13 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1fe8 s ILE 195 CO 0.20 0.26 -0.18 -0.89 0.00 0.00 0.00 174.94 174.34 1fe8 s THR 196 N 1.10 1.43 -0.27 2.92 2.01 -1.26 -0.87 115.64 120.70 1fe8 s THR 196 Ca -0.08 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 60.71 1fe8 s THR 196 Cb -0.14 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1fe8 s THR 196 CO -0.01 0.13 0.18 0.00 -0.69 0.00 0.00 174.62 174.23 1fe8 s ASN 198 N 1.53 4.92 -0.09 0.00 -0.87 -0.06 -0.56 114.94 119.82 1fe8 s ASN 198 Ca 0.07 -0.42 0.05 0.00 -1.57 0.00 0.00 52.86 50.99 1fe8 s ASN 198 Cb -0.15 -1.86 -0.00 0.00 -0.02 0.00 0.00 41.25 39.21 1fe8 s ASN 198 CO 0.09 -0.08 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.61 1fe8 s VAL 199 N 1.54 2.03 -0.06 1.60 1.01 0.60 -1.28 120.40 125.85 1fe8 s VAL 199 Ca 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1fe8 s VAL 199 Cb -0.16 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1fe8 s VAL 199 CO 0.01 0.56 -0.17 0.00 0.00 0.00 0.00 175.10 175.50 1fe8 s ALA 200 N 0.21 1.59 -0.53 5.51 0.00 0.06 -0.15 121.76 128.45 1fe8 s ALA 200 Ca -0.15 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1fe8 s ALA 200 Cb -0.17 -0.57 0.16 0.00 0.00 0.00 0.00 23.12 22.55 1fe8 s ALA 200 CO 0.07 0.25 0.37 -1.58 0.00 0.00 0.00 175.76 174.88 1fe8 s HIS 201 N 0.20 2.29 0.27 0.00 2.46 0.41 -0.64 115.29 120.29 1fe8 s HIS 201 Ca -0.08 -2.75 -0.09 0.00 0.47 0.00 0.00 55.06 52.62 1fe8 s HIS 201 Cb -0.13 -1.88 0.43 0.00 -0.13 0.00 0.00 32.58 30.87 1fe8 s HIS 201 CO 0.03 -0.71 1.57 -1.35 -2.47 0.00 0.00 174.74 171.82 1fe8 h PRO 202 N 5.85 0.00 0.00 2.88 0.11 -1.79 -0.01 132.00 139.05 1fe8 h PRO 202 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1fe8 h PRO 202 Cb 0.85 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1fe8 h PRO 202 CO 0.54 0.00 0.51 0.00 -0.21 0.00 0.00 178.00 178.83 1fe8 h ALA 203 N 1.95 1.50 0.00 -0.75 0.00 -1.91 0.32 119.26 120.38 1fe8 h ALA 203 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1fe8 h ALA 203 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1fe8 h ALA 203 CO -0.98 -0.50 -0.11 -1.13 0.00 0.00 0.00 179.25 176.53 1fe8 n SER 204 N -2.73 1.33 -3.35 0.00 3.41 -0.06 -4.97 113.62 107.25 1fe8 n SER 204 Ca -0.01 -2.18 -0.23 0.00 -0.26 0.00 0.00 58.87 56.19 1fe8 n SER 204 Cb 0.54 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1fe8 n SER 204 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fe8 n SER 205 N -0.61 -3.52 -4.81 4.04 7.64 0.11 -4.92 113.62 111.55 1fe8 n SER 205 Ca 0.05 -0.37 -0.37 0.00 1.01 0.00 0.00 58.87 59.19 1fe8 n SER 205 Cb 0.52 -2.93 -0.06 0.00 -1.01 0.00 0.00 64.21 60.72 1fe8 n SER 205 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fe8 s THR 206 N -2.90 5.32 -0.23 0.44 2.01 -1.01 -4.98 115.64 114.28 1fe8 s THR 206 Ca 0.39 0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.83 1fe8 s THR 206 Cb -0.21 -3.55 0.11 0.00 0.01 0.00 0.00 72.50 68.86 1fe8 s THR 206 CO 0.48 0.53 0.24 -0.75 -0.69 0.00 0.00 174.62 174.43 1fe8 s LYS 207 N -0.51 0.23 0.07 4.92 2.20 -1.26 -0.44 119.74 124.95 1fe8 s LYS 207 Ca 0.17 0.07 0.09 0.00 -0.36 0.00 0.00 55.97 55.94 1fe8 s LYS 207 Cb -0.13 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.11 1fe8 s LYS 207 CO 0.06 -0.78 -0.25 0.08 -0.36 0.00 0.00 175.35 174.10 1fe8 s VAL 208 N 2.32 2.01 -0.15 4.02 1.01 0.79 -4.99 120.40 125.42 1fe8 s VAL 208 Ca 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1fe8 s VAL 208 Cb -0.15 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1fe8 s VAL 208 CO -0.20 0.20 -0.14 -1.81 0.00 0.00 0.00 175.10 173.15 1fe8 s ASP 209 N -1.53 2.68 -0.28 3.32 1.01 -1.26 -0.29 116.67 120.33 1fe8 s ASP 209 Ca 0.11 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.89 1fe8 s ASP 209 Cb -0.10 -1.18 0.06 0.00 1.01 0.00 0.00 42.92 42.71 1fe8 s ASP 209 CO 0.03 -0.05 -0.05 -0.75 0.21 0.00 0.00 175.17 174.56 1fe8 s LYS 210 N 1.48 2.32 0.20 8.23 2.47 0.28 -4.94 119.74 129.78 1fe8 s LYS 210 Ca 0.05 -1.32 -0.30 0.00 -1.56 0.00 0.00 55.97 52.84 1fe8 s LYS 210 Cb -0.13 -3.04 -0.08 0.00 -1.46 0.00 0.00 37.83 33.12 1fe8 s LYS 210 CO -0.11 -0.60 1.06 0.21 0.16 0.00 0.00 175.35 176.07 1fe8 s LYS 211 N 1.17 4.66 -0.40 4.03 2.20 -1.26 -1.05 119.74 129.09 1fe8 s LYS 211 Ca -0.07 1.67 -0.23 0.00 -0.36 0.00 0.00 55.97 56.98 1fe8 s LYS 211 Cb -0.20 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1fe8 s LYS 211 CO -0.03 0.19 0.80 0.42 -0.36 0.00 0.00 175.35 176.37 1fe8 s ILE 212 N -0.56 4.68 -0.14 5.43 -1.09 -0.05 -4.90 121.20 124.57 1fe8 s ILE 212 Ca 0.47 0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 59.57 1fe8 s ILE 212 Cb -0.29 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.29 1fe8 s ILE 212 CO 0.35 -0.56 0.04 -1.61 -1.23 0.00 0.00 174.94 171.93 1fe8 s GLU 213 N 3.22 3.60 0.45 2.79 0.41 -1.26 -4.65 118.70 123.27 1fe8 s GLU 213 Ca 0.31 -0.37 -0.25 0.00 -0.41 0.00 0.00 54.97 54.25 1fe8 s GLU 213 Cb -0.13 -3.05 -0.08 0.00 -1.78 0.00 0.00 34.13 29.09 1fe8 s GLU 213 CO 0.20 0.44 1.43 -0.35 -0.49 0.00 0.00 175.26 176.49 1fe8 n PRO 214 N 2.99 2.25 -2.41 0.39 -0.04 -1.26 -4.76 135.00 132.15 1fe8 n PRO 214 Ca -0.18 0.80 -0.36 0.00 -0.04 0.00 0.00 63.50 63.73 1fe8 n PRO 214 Cb 0.53 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 1fe8 n PRO 214 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1fe8 s ARG 215 N -2.45 3.83 0.00 0.54 0.52 -1.26 -5.11 118.95 115.01 1fe8 s ARG 215 Ca 0.61 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 1fe8 s ARG 215 Cb -0.45 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1fe8 s ARG 215 CO 0.57 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.86