#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8k s ILE 2 N 0.00 5.30 0.01 5.15 1.01 -1.26 -3.95 121.20 127.46 1u8k s ILE 2 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.80 1u8k s ILE 2 Cb 0.00 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1u8k s ILE 2 CO 0.00 0.53 -0.03 0.42 0.00 0.00 0.00 174.94 175.85 1u8k s THR 3 N -0.28 0.22 0.04 2.92 -4.23 -0.67 -5.00 115.64 108.63 1u8k s THR 3 Ca 0.10 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1u8k s THR 3 Cb -0.12 -0.25 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 1u8k s THR 3 CO 0.01 -0.14 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.08 1u8k s LEU 4 N -0.60 2.20 -0.12 4.79 1.02 -1.26 -1.29 118.68 123.42 1u8k s LEU 4 Ca -0.05 -0.47 -0.06 0.00 0.02 0.00 0.00 54.13 53.58 1u8k s LEU 4 Cb -0.04 -0.42 0.05 0.00 0.02 0.00 0.00 46.19 45.79 1u8k s LEU 4 CO -0.00 -0.05 0.27 -0.75 0.02 0.00 0.00 176.35 175.84 1u8k s LYS 5 N -1.25 0.22 0.19 1.70 2.20 0.19 -4.15 119.74 118.83 1u8k s LYS 5 Ca -0.02 0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 56.06 1u8k s LYS 5 Cb -0.08 -0.09 -0.07 0.00 -1.51 0.00 0.00 37.83 36.07 1u8k s LYS 5 CO 0.01 -0.18 0.56 -1.21 -0.36 0.00 0.00 175.35 174.17 1u8k s GLU 6 N 1.47 3.92 0.02 4.03 8.01 -1.26 -0.65 118.70 134.24 1u8k s GLU 6 Ca -0.08 0.42 -0.05 0.00 0.01 0.00 0.00 54.97 55.28 1u8k s GLU 6 Cb -0.10 -2.80 -0.01 0.00 -4.31 0.00 0.00 34.13 26.91 1u8k s GLU 6 CO -0.09 0.40 0.07 -1.54 0.01 0.00 0.00 175.26 174.11 1u8k s SER 7 N -1.98 0.16 0.00 -0.19 1.04 0.48 -4.81 113.70 108.39 1u8k s SER 7 Ca 0.42 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1u8k s SER 7 Cb -0.13 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1u8k s SER 7 CO 0.20 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1u8k n GLY 8 N 1.17 -1.69 3.72 7.32 0.00 -1.26 -0.51 105.19 113.94 1u8k n GLY 8 Ca -0.21 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1u8k n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1u8k s PRO 9 N -1.77 4.49 0.41 1.61 0.02 -1.26 -4.91 135.00 133.59 1u8k s PRO 9 Ca 0.00 1.76 0.22 0.00 0.02 0.00 0.00 61.00 63.00 1u8k s PRO 9 Cb 0.00 -3.32 0.48 0.00 0.02 0.00 0.00 34.50 31.68 1u8k s PRO 9 CO 0.00 -0.13 1.64 -1.00 -0.33 0.00 0.00 177.00 177.18 1u8k h PRO 10 N 6.11 0.00 -4.57 5.54 0.13 -1.94 -3.44 132.00 133.83 1u8k h PRO 10 Ca -0.43 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.23 1u8k h PRO 10 Cb 1.21 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 1u8k h PRO 10 CO 0.78 0.17 -0.80 -0.51 -0.23 0.00 0.00 178.00 177.40 1u8k s LEU 11 N -6.36 1.68 0.03 1.56 1.43 -1.26 -0.66 118.68 115.10 1u8k s LEU 11 Ca 0.04 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1u8k s LEU 11 Cb 0.07 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1u8k s LEU 11 CO 0.67 0.05 -0.05 0.68 0.23 0.00 0.00 176.35 177.93 1u8k s VAL 12 N 0.46 0.27 0.14 -1.59 -7.23 -0.32 -4.96 120.40 107.17 1u8k s VAL 12 Ca -0.09 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1u8k s VAL 12 Cb -0.13 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 1u8k s VAL 12 CO 0.02 -0.49 0.32 -0.54 -0.31 0.00 0.00 175.10 174.10 1u8k s LYS 13 N -1.65 3.50 0.58 4.82 1.02 -1.25 -1.57 119.74 125.18 1u8k s LYS 13 Ca -0.12 -0.37 -0.18 0.00 0.02 0.00 0.00 55.97 55.31 1u8k s LYS 13 Cb -0.09 -2.92 -0.08 0.00 -0.52 0.00 0.00 37.83 34.23 1u8k s LYS 13 CO -0.01 0.49 0.65 -2.30 -0.92 0.00 0.00 175.35 173.26 1u8k n PRO 14 N -0.25 0.61 0.00 -1.68 -0.02 -1.26 -1.77 135.00 130.63 1u8k n PRO 14 Ca -0.05 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1u8k n PRO 14 Cb 0.53 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1u8k n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u8k n THR 15 N -1.71 0.00 -1.48 3.45 -2.24 0.23 -4.90 114.28 107.63 1u8k n THR 15 Ca 0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1u8k n THR 15 Cb 0.47 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.87 1u8k n THR 15 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1u8k s GLN 16 N 0.00 0.58 -0.14 -0.78 -0.21 -0.73 -3.74 119.66 114.64 1u8k s GLN 16 Ca 0.00 0.15 -0.07 0.00 0.02 0.00 0.00 55.36 55.46 1u8k s GLN 16 Cb 0.00 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.18 1u8k s GLN 16 CO 0.00 -2.55 0.11 0.99 -2.12 0.00 0.00 175.29 171.72 1u8k s THR 17 N -3.29 5.23 -0.22 -0.19 2.01 -1.26 -1.57 115.64 116.35 1u8k s THR 17 Ca 0.67 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.73 1u8k s THR 17 Cb -0.13 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1u8k s THR 17 CO 0.54 0.56 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.81 1u8k s LEU 18 N -0.53 3.14 -0.23 4.42 2.96 0.31 -4.96 118.68 123.78 1u8k s LEU 18 Ca 0.12 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1u8k s LEU 18 Cb -0.12 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1u8k s LEU 18 CO 0.02 0.01 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.11 1u8k s THR 19 N 1.33 3.12 -0.06 3.68 2.01 -1.26 0.70 115.64 125.15 1u8k s THR 19 Ca 0.04 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1u8k s THR 19 Cb -0.15 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1u8k s THR 19 CO 0.00 0.34 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.38 1u8k s LEU 20 N 1.41 2.83 -0.07 4.42 1.43 0.11 -4.40 118.68 124.41 1u8k s LEU 20 Ca 0.04 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1u8k s LEU 20 Cb -0.15 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1u8k s LEU 20 CO -0.04 0.34 -0.25 -0.89 0.23 0.00 0.00 176.35 175.74 1u8k s THR 21 N -0.70 2.06 -0.25 5.49 2.01 0.33 -0.50 115.64 124.08 1u8k s THR 21 Ca 0.11 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 1u8k s THR 21 Cb -0.11 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.65 1u8k s THR 21 CO 0.01 0.57 -0.00 0.00 -0.69 0.00 0.00 174.62 174.51 1u8k s SER 23 N 1.46 5.41 0.20 0.00 0.01 0.17 -1.17 113.70 119.78 1u8k s SER 23 Ca 0.04 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1u8k s SER 23 Cb -0.16 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 1u8k s SER 23 CO -0.01 0.15 0.02 0.72 0.41 0.00 0.00 173.24 174.53 1u8k s PHE 24 N 0.48 1.32 0.12 2.43 -0.12 -0.77 -0.64 117.98 120.80 1u8k s PHE 24 Ca 0.02 -1.03 -0.13 0.00 -0.05 0.00 0.00 56.93 55.74 1u8k s PHE 24 Cb -0.13 -0.76 0.02 0.00 -0.63 0.00 0.00 43.02 41.52 1u8k s PHE 24 CO 0.01 -0.20 0.33 -1.54 -0.05 0.00 0.00 175.22 173.77 1u8k s SER 25 N -3.22 -0.10 0.00 1.98 1.04 -0.41 -4.81 113.70 108.18 1u8k s SER 25 Ca 0.27 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1u8k s SER 25 Cb 0.06 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1u8k s SER 25 CO 0.06 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1u8k n GLY 26 N -0.17 0.45 3.58 7.32 0.00 -1.25 -1.67 105.19 113.44 1u8k n GLY 26 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1u8k n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u8k s PHE 27 N -2.13 -0.35 0.09 1.61 -0.12 -1.26 -4.72 117.98 111.10 1u8k s PHE 27 Ca 0.00 0.04 0.10 0.00 -0.05 0.00 0.00 56.93 57.01 1u8k s PHE 27 Cb 0.00 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1u8k s PHE 27 CO 0.00 -0.99 -0.25 0.45 -0.05 0.00 0.00 175.22 174.38 1u8k s SER 28 N -2.83 3.08 -0.08 1.98 0.15 -1.26 -4.99 113.70 109.75 1u8k s SER 28 Ca 0.06 -0.66 0.03 0.00 0.70 0.00 0.00 55.95 56.08 1u8k s SER 28 Cb -0.03 -0.23 0.19 0.00 -1.71 0.00 0.00 66.02 64.24 1u8k s SER 28 CO -0.05 0.19 0.95 -0.11 1.20 0.00 0.00 173.24 175.42 1u8k n LEU 29 N 1.36 2.76 -0.07 3.45 7.94 -1.26 -1.72 117.00 129.45 1u8k n LEU 29 Ca -0.18 -1.41 0.02 0.00 -1.11 0.00 0.00 56.01 53.33 1u8k n LEU 29 Cb 0.53 -0.56 -0.00 0.00 0.53 0.00 0.00 43.42 43.92 1u8k n LEU 29 CO 0.23 0.44 0.14 -1.54 -1.11 0.00 0.00 177.39 175.55 1u8k n SER 30 N 0.13 0.70 -4.77 1.96 3.41 -1.26 -4.25 113.62 109.54 1u8k n SER 30 Ca 0.10 -0.85 -0.39 0.00 -0.26 0.00 0.00 58.87 57.46 1u8k n SER 30 Cb 0.59 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 65.03 1u8k n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1u8k s ASP 31 N -0.83 6.83 0.10 4.04 1.01 -0.70 -4.92 116.67 122.20 1u8k s ASP 31 Ca 0.03 2.34 -0.34 0.00 0.71 0.00 0.00 52.55 55.29 1u8k s ASP 31 Cb 0.03 -2.62 -0.13 0.00 1.01 0.00 0.00 42.92 41.21 1u8k s ASP 31 CO 0.09 -0.46 1.69 0.33 0.21 0.00 0.00 175.17 177.03 1u8k n PHE 32 N 0.54 2.35 -0.69 4.23 7.35 -1.26 -2.55 117.46 127.42 1u8k n PHE 32 Ca 0.02 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1u8k n PHE 32 Cb 0.45 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.69 1u8k n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8k n GLY 33 N 3.77 0.11 3.77 7.13 0.00 -1.26 -4.24 105.19 114.47 1u8k n GLY 33 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1u8k n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8k s VAL 34 N -1.32 2.60 0.10 1.61 1.01 -1.06 -3.80 120.40 119.54 1u8k s VAL 34 Ca 0.00 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.60 1u8k s VAL 34 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1u8k s VAL 34 CO 0.00 0.09 -0.18 -0.83 0.00 0.00 0.00 175.10 174.18 1u8k s GLY 35 N -0.65 1.13 -0.10 4.51 0.00 0.02 -1.07 107.32 111.16 1u8k s GLY 35 Ca 0.55 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1u8k s GLY 35 CO 0.51 -1.23 -0.08 0.14 0.00 0.00 0.00 173.10 172.44 1u8k s VAL 35 N -1.37 0.99 0.41 1.40 1.01 -0.40 0.47 120.40 122.90 1u8k s VAL 35 Ca 0.05 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1u8k s VAL 35 Cb -0.09 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 1u8k s VAL 35 CO 0.04 0.35 0.01 -0.83 0.00 0.00 0.00 175.10 174.67 1u8k s GLY 35 N 1.43 2.51 -0.04 4.51 0.00 0.42 -1.18 107.32 114.97 1u8k s GLY 35 Ca -0.01 -2.17 0.06 0.00 0.00 0.00 0.00 44.72 42.60 1u8k s GLY 35 CO -0.05 -2.08 -0.22 -0.98 0.00 0.00 0.00 173.10 169.77 1u8k s TRP 36 N -2.76 2.08 0.01 1.90 0.52 0.10 -0.47 118.94 120.32 1u8k s TRP 36 Ca 0.33 -0.53 0.02 0.00 0.02 0.00 0.00 56.10 55.95 1u8k s TRP 36 Cb 0.09 -1.36 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 1u8k s TRP 36 CO 0.17 -0.13 -0.08 0.42 0.02 0.00 0.00 176.95 177.35 1u8k s ILE 37 N -0.25 0.60 0.27 2.03 1.09 0.94 -0.49 121.20 125.38 1u8k s ILE 37 Ca 0.01 -0.55 0.11 0.00 -1.10 0.00 0.00 60.65 59.12 1u8k s ILE 37 Cb -0.11 -0.55 -0.05 0.00 -1.06 0.00 0.00 42.46 40.69 1u8k s ILE 37 CO 0.02 0.01 -0.17 0.00 -0.10 0.00 0.00 174.94 174.70 1u8k s ARG 38 N -0.59 1.62 -0.29 2.79 1.70 0.14 0.46 118.95 124.77 1u8k s ARG 38 Ca -0.00 -1.75 -0.01 0.00 -0.47 0.00 0.00 55.73 53.49 1u8k s ARG 38 Cb -0.05 -1.61 0.13 0.00 -0.57 0.00 0.00 34.95 32.85 1u8k s ARG 38 CO 0.00 0.27 0.26 -1.14 -1.08 0.00 0.00 175.30 173.61 1u8k s GLN 39 N -3.56 0.30 0.38 3.89 0.74 0.28 -0.23 119.66 121.47 1u8k s GLN 39 Ca 0.29 -0.24 -0.28 0.00 0.05 0.00 0.00 55.36 55.18 1u8k s GLN 39 Cb -0.03 -0.76 -0.11 0.00 1.10 0.00 0.00 33.01 33.21 1u8k s GLN 39 CO 0.13 -1.03 1.48 -1.25 -0.55 0.00 0.00 175.29 174.07 1u8k s PRO 40 N 2.29 4.09 -0.10 1.67 0.04 -1.26 -1.14 135.00 140.58 1u8k s PRO 40 Ca 0.09 2.55 -0.39 0.00 0.04 0.00 0.00 61.00 63.29 1u8k s PRO 40 Cb -0.14 -2.95 -0.17 0.00 0.04 0.00 0.00 34.50 31.28 1u8k s PRO 40 CO -0.33 -0.54 1.48 -0.35 0.04 0.00 0.00 177.00 177.29 1u8k n PRO 41 N 0.42 0.92 0.00 0.56 -0.04 -1.26 -0.31 135.00 135.29 1u8k n PRO 41 Ca 0.01 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1u8k n PRO 41 Cb 0.39 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1u8k n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u8k n GLY 42 N 3.13 2.88 1.57 0.55 0.00 -1.26 -5.00 105.19 107.06 1u8k n GLY 42 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1u8k n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u8k n LYS 43 N -2.00 0.78 -1.92 1.61 5.02 0.58 -5.12 118.16 117.11 1u8k n LYS 43 Ca 0.00 -1.24 -0.29 0.00 -2.02 0.00 0.00 58.31 54.76 1u8k n LYS 43 Cb 0.00 -0.12 0.07 0.00 -0.02 0.00 0.00 35.03 34.96 1u8k n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u8k s ALA 44 N -2.36 2.81 0.47 7.82 0.00 -1.26 -4.69 121.76 124.54 1u8k s ALA 44 Ca 0.25 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 1u8k s ALA 44 Cb -0.02 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 1u8k s ALA 44 CO 0.16 -1.38 1.17 -0.51 0.00 0.00 0.00 175.76 175.20 1u8k s LEU 45 N -5.44 4.00 -0.09 0.00 1.43 -1.26 -4.33 118.68 112.99 1u8k s LEU 45 Ca 0.60 2.32 -0.03 0.00 -1.03 0.00 0.00 54.13 55.99 1u8k s LEU 45 Cb -0.11 -4.25 0.04 0.00 0.03 0.00 0.00 46.19 41.90 1u8k s LEU 45 CO 0.50 -0.95 0.06 -0.70 0.23 0.00 0.00 176.35 175.49 1u8k s GLU 46 N -2.72 0.05 0.15 1.70 2.12 0.68 -4.97 118.70 115.71 1u8k s GLU 46 Ca 0.64 0.19 -0.31 0.00 0.36 0.00 0.00 54.97 55.85 1u8k s GLU 46 Cb -0.29 -1.00 -0.10 0.00 0.26 0.00 0.00 34.13 33.01 1u8k s GLU 46 CO 0.35 -0.44 1.54 -0.46 -0.54 0.00 0.00 175.26 175.71 1u8k s TRP 47 N 2.13 3.08 -0.17 5.30 -0.00 -1.26 0.24 118.94 128.26 1u8k s TRP 47 Ca 0.04 0.68 -0.06 0.00 -0.00 0.00 0.00 56.10 56.76 1u8k s TRP 47 Cb -0.13 -3.89 -0.09 0.00 -0.00 0.00 0.00 33.47 29.36 1u8k s TRP 47 CO -0.05 -3.25 -0.20 1.28 -0.00 0.00 0.00 176.95 174.73 1u8k n LEU 48 N 3.99 1.80 -3.62 5.86 4.77 0.35 -4.60 117.00 125.57 1u8k n LEU 48 Ca 0.13 0.12 0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1u8k n LEU 48 Cb 0.39 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1u8k n LEU 48 CO 0.61 0.50 1.04 0.00 -1.33 0.00 0.00 177.39 178.21 1u8k s ALA 49 N -2.32 -2.20 -0.01 -1.18 0.00 -1.17 0.56 121.76 115.43 1u8k s ALA 49 Ca -0.24 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 1u8k s ALA 49 Cb 0.08 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1u8k s ALA 49 CO 0.33 -0.99 0.27 -1.50 0.00 0.00 0.00 175.76 173.88 1u8k s ILE 50 N -2.45 0.06 0.00 0.00 2.07 -0.33 0.00 121.20 120.55 1u8k s ILE 50 Ca 0.13 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.90 1u8k s ILE 50 Cb 0.04 -0.57 -0.01 0.00 0.13 0.00 0.00 42.46 42.05 1u8k s ILE 50 CO -0.04 -0.27 -0.08 -0.51 -1.91 0.00 0.00 174.94 172.13 1u8k s ILE 51 N -1.28 0.64 0.41 2.00 2.07 -0.33 -1.21 121.20 123.50 1u8k s ILE 51 Ca -0.13 -0.44 0.07 0.00 -1.41 0.00 0.00 60.65 58.74 1u8k s ILE 51 Cb -0.06 -0.55 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 1u8k s ILE 51 CO 0.04 0.11 0.24 -0.31 -1.91 0.00 0.00 174.94 173.10 1u8k s TYR 52 N -0.34 2.64 0.36 3.50 1.51 0.34 -1.28 117.35 124.09 1u8k s TYR 52 Ca 0.02 -0.55 0.09 0.00 -1.01 0.00 0.00 57.07 55.62 1u8k s TYR 52 Cb -0.04 -2.01 0.83 0.00 -0.11 0.00 0.00 41.96 40.63 1u8k s TYR 52 CO -0.00 0.10 1.89 0.77 -1.11 0.00 0.00 175.55 177.19 1u8k h SER 53 N 1.31 0.63 -0.15 2.29 0.02 -1.28 0.11 113.55 116.48 1u8k h SER 53 Ca -0.42 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1u8k h SER 53 Cb 1.26 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1u8k h SER 53 CO 0.66 0.33 0.00 -0.90 -1.14 0.00 0.00 176.83 175.78 1u8k n ASP 54 N -4.54 0.92 0.00 3.07 5.68 -1.26 -4.74 116.55 115.68 1u8k n ASP 54 Ca 0.16 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 1u8k n ASP 54 Cb 0.44 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1u8k n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1u8k n ASP 55 N -0.04 -3.80 -4.77 -1.12 2.03 0.38 -5.01 116.55 104.23 1u8k n ASP 55 Ca 0.05 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.96 1u8k n ASP 55 Cb 0.16 -1.38 -0.01 0.00 -0.72 0.00 0.00 41.12 39.17 1u8k n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1u8k s ASP 56 N -2.02 6.48 0.03 1.67 3.68 -1.25 -4.75 116.67 120.51 1u8k s ASP 56 Ca 0.00 2.62 0.02 0.00 2.13 0.00 0.00 52.55 57.32 1u8k s ASP 56 Cb 0.00 -2.64 -0.02 0.00 -1.45 0.00 0.00 42.92 38.81 1u8k s ASP 56 CO 0.00 -0.73 -0.07 -0.54 0.13 0.00 0.00 175.17 173.96 1u8k s LYS 57 N -2.11 0.48 -0.01 4.34 1.02 -1.26 -0.50 119.74 121.70 1u8k s LYS 57 Ca 0.54 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.90 1u8k s LYS 57 Cb -0.38 -0.29 -0.00 0.00 -0.52 0.00 0.00 37.83 36.64 1u8k s LYS 57 CO 0.49 0.06 0.06 1.03 -0.92 0.00 0.00 175.35 176.07 1u8k s ARG 58 N -1.20 0.24 0.09 1.68 1.81 -0.35 -5.00 118.95 116.22 1u8k s ARG 58 Ca -0.07 -0.21 0.05 0.00 -1.72 0.00 0.00 55.73 53.78 1u8k s ARG 58 Cb -0.08 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 1u8k s ARG 58 CO 0.00 -0.05 -0.14 0.71 -0.68 0.00 0.00 175.30 175.15 1u8k s TYR 59 N -0.71 1.27 0.16 -0.53 1.51 -1.26 -1.19 117.35 116.61 1u8k s TYR 59 Ca -0.08 -0.50 -0.33 0.00 -1.01 0.00 0.00 57.07 55.15 1u8k s TYR 59 Cb -0.05 -0.70 -0.13 0.00 -0.11 0.00 0.00 41.96 40.98 1u8k s TYR 59 CO 0.00 0.08 1.69 0.45 -1.11 0.00 0.00 175.55 176.66 1u8k n SER 60 N 1.01 3.61 -0.04 2.29 2.88 0.19 -4.84 113.62 118.72 1u8k n SER 60 Ca -0.19 1.05 0.05 0.00 -1.33 0.00 0.00 58.87 58.46 1u8k n SER 60 Cb 0.55 -1.50 0.42 0.00 -0.75 0.00 0.00 64.21 62.93 1u8k n SER 60 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1u8k h PRO 61 N 6.84 0.56 0.00 -1.46 0.11 -1.94 0.84 132.00 136.95 1u8k h PRO 61 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1u8k h PRO 61 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1u8k h PRO 61 CO 0.93 0.37 -0.27 0.77 -0.21 0.00 0.00 178.00 179.59 1u8k h SER 62 N 0.57 0.00 -0.06 -2.05 0.02 -1.98 -3.22 113.55 106.83 1u8k h SER 62 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1u8k h SER 62 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1u8k h SER 62 CO -0.05 0.27 0.00 0.18 -1.14 0.00 0.00 176.83 176.09 1u8k n LEU 63 N -4.17 1.79 -0.30 5.07 7.99 -0.90 -4.80 117.00 121.67 1u8k n LEU 63 Ca -0.02 -1.42 0.04 0.00 -0.01 0.00 0.00 56.01 54.60 1u8k n LEU 63 Cb 0.32 -0.04 0.13 0.00 -0.11 0.00 0.00 43.42 43.72 1u8k n LEU 63 CO 0.37 0.42 0.71 -1.13 -1.51 0.00 0.00 177.39 176.25 1u8k h ASN 64 N 0.84 -0.73 0.64 -1.43 -0.00 -0.86 0.15 115.58 114.19 1u8k h ASN 64 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.30 56.55 1u8k h ASN 64 Cb 0.35 0.51 0.00 0.00 -0.00 0.00 0.00 38.32 39.18 1u8k h ASN 64 CO 0.00 -0.28 0.00 0.71 -0.00 0.00 0.00 177.43 177.86 1u8k h THR 65 N 0.01 0.00 -0.01 -3.57 1.35 -1.87 -2.95 112.91 105.87 1u8k h THR 65 Ca 0.42 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1u8k h THR 65 Cb 0.68 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1u8k h THR 65 CO -0.86 0.00 -0.40 0.54 -0.25 0.00 0.00 175.52 174.55 1u8k n ARG 66 N -3.09 1.66 -4.26 4.72 1.74 0.43 -4.93 116.66 112.93 1u8k n ARG 66 Ca -0.01 -0.72 -0.31 0.00 -0.77 0.00 0.00 57.85 56.04 1u8k n ARG 66 Cb 0.22 -1.28 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 1u8k n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1u8k s LEU 67 N -2.15 3.37 -0.06 0.55 1.43 -0.68 -0.79 118.68 120.35 1u8k s LEU 67 Ca 0.13 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1u8k s LEU 67 Cb 0.13 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1u8k s LEU 67 CO 0.45 0.23 0.13 -0.89 0.23 0.00 0.00 176.35 176.50 1u8k s THR 68 N -1.16 -0.06 -0.00 5.49 2.01 -0.49 -4.92 115.64 116.50 1u8k s THR 68 Ca 0.21 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1u8k s THR 68 Cb -0.11 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 1u8k s THR 68 CO 0.13 0.08 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.38 1u8k s ILE 69 N 1.22 1.98 0.13 1.82 2.07 -1.26 -0.41 121.20 126.75 1u8k s ILE 69 Ca -0.09 -1.13 -0.09 0.00 -1.41 0.00 0.00 60.65 57.94 1u8k s ILE 69 Cb -0.12 -1.65 -0.00 0.00 0.13 0.00 0.00 42.46 40.82 1u8k s ILE 69 CO -0.05 0.50 0.26 0.28 -1.91 0.00 0.00 174.94 174.02 1u8k s THR 70 N -0.63 0.09 0.10 4.00 -1.32 -0.01 -4.99 115.64 112.88 1u8k s THR 70 Ca 0.10 -1.26 0.05 0.00 -1.21 0.00 0.00 61.69 59.37 1u8k s THR 70 Cb -0.10 -1.61 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 1u8k s THR 70 CO -0.00 -0.43 -0.12 -1.59 -2.21 0.00 0.00 174.62 170.26 1u8k s LYS 71 N -3.92 0.92 -0.43 7.08 -2.85 -1.26 -0.13 119.74 119.15 1u8k s LYS 71 Ca 0.12 -1.15 0.02 0.00 -1.00 0.00 0.00 55.97 53.96 1u8k s LYS 71 Cb 0.04 -0.75 0.13 0.00 -2.06 0.00 0.00 37.83 35.19 1u8k s LYS 71 CO -0.05 0.14 0.21 0.34 0.10 0.00 0.00 175.35 176.09 1u8k s ASP 72 N -2.32 3.90 0.21 0.03 -1.08 0.20 -4.96 116.67 112.65 1u8k s ASP 72 Ca 0.05 -2.55 -0.10 0.00 -0.52 0.00 0.00 52.55 49.44 1u8k s ASP 72 Cb -0.05 -1.17 0.28 0.00 -1.46 0.00 0.00 42.92 40.52 1u8k s ASP 72 CO 0.02 -0.29 1.72 0.74 0.52 0.00 0.00 175.17 177.88 1u8k h THR 73 N 5.54 0.68 -0.09 1.71 2.02 -1.93 -0.80 112.91 120.03 1u8k h THR 73 Ca -0.04 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1u8k h THR 73 Cb 0.94 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1u8k h THR 73 CO 0.52 0.05 -0.22 0.28 0.37 0.00 0.00 175.52 176.52 1u8k h SER 74 N 0.30 0.15 -0.12 4.18 0.02 -1.94 -2.52 113.55 113.61 1u8k h SER 74 Ca 0.31 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1u8k h SER 74 Cb 0.44 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1u8k h SER 74 CO -0.37 0.39 0.00 0.29 -1.14 0.00 0.00 176.83 175.99 1u8k n LYS 75 N -4.21 2.18 -3.53 3.45 5.02 -0.82 -4.95 118.16 115.30 1u8k n LYS 75 Ca -0.01 -1.73 -0.19 0.00 -2.02 0.00 0.00 58.31 54.35 1u8k n LYS 75 Cb 0.32 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.93 1u8k n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u8k n ASN 76 N 1.04 -2.19 -4.09 4.39 5.03 -0.40 -4.81 115.26 114.22 1u8k n ASN 76 Ca 0.16 -0.67 -0.11 0.00 0.87 0.00 0.00 54.58 54.83 1u8k n ASN 76 Cb 0.53 -4.81 -0.11 0.00 -1.02 0.00 0.00 39.78 34.37 1u8k n ASN 76 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1u8k s GLN 77 N -5.62 0.62 -0.05 3.52 -0.21 -0.62 -1.84 119.66 115.45 1u8k s GLN 77 Ca 0.06 -0.98 0.02 0.00 0.02 0.00 0.00 55.36 54.48 1u8k s GLN 77 Cb -0.03 -0.19 0.01 0.00 1.00 0.00 0.00 33.01 33.80 1u8k s GLN 77 CO 0.75 0.01 -0.09 0.08 -2.12 0.00 0.00 175.29 173.92 1u8k s VAL 78 N -2.35 0.88 -0.06 1.09 1.01 -0.32 0.61 120.40 121.26 1u8k s VAL 78 Ca -0.02 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1u8k s VAL 78 Cb -0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1u8k s VAL 78 CO -0.02 0.29 -0.16 -0.69 0.00 0.00 0.00 175.10 174.52 1u8k s VAL 79 N 0.63 2.86 -0.12 2.92 1.01 0.82 0.44 120.40 128.96 1u8k s VAL 79 Ca -0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1u8k s VAL 79 Cb -0.14 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1u8k s VAL 79 CO 0.02 0.58 -0.20 -0.22 0.00 0.00 0.00 175.10 175.28 1u8k s LEU 80 N -0.51 1.97 -0.15 3.92 2.96 0.35 -0.83 118.68 126.39 1u8k s LEU 80 Ca 0.07 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1u8k s LEU 80 Cb -0.12 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.28 1u8k s LEU 80 CO 0.01 0.08 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.26 1u8k s VAL 81 N 0.72 2.46 -0.19 1.68 1.01 0.45 0.05 120.40 126.58 1u8k s VAL 81 Ca -0.11 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1u8k s VAL 81 Cb -0.16 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1u8k s VAL 81 CO 0.02 0.53 -0.16 -0.32 0.00 0.00 0.00 175.10 175.16 1u8k s MET 82 N 0.83 3.03 0.40 2.72 1.75 0.22 -1.40 119.30 126.85 1u8k s MET 82 Ca -0.06 -0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 53.56 1u8k s MET 82 Cb -0.15 -2.69 -0.03 0.00 2.84 0.00 0.00 34.83 34.80 1u8k s MET 82 CO -0.01 -0.23 0.63 0.95 -0.65 0.00 0.00 175.02 175.71 1u8k s THR 82 N 1.32 4.76 -1.24 10.11 -4.23 0.03 0.11 115.64 126.50 1u8k s THR 82 Ca 0.04 -0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 60.04 1u8k s THR 82 Cb -0.14 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1u8k s THR 82 CO -0.10 -0.55 0.64 0.54 -0.54 0.00 0.00 174.62 174.60 1u8k n ARG 82 N -1.96 -1.69 -1.92 3.99 5.12 -1.07 -4.86 116.66 114.27 1u8k n ARG 82 Ca -0.02 0.37 -0.33 0.00 -1.93 0.00 0.00 57.85 55.94 1u8k n ARG 82 Cb 0.56 -3.97 0.03 0.00 -1.16 0.00 0.00 32.46 27.92 1u8k n ARG 82 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1u8k s VAL 82 N -3.65 3.59 0.12 1.55 -7.23 -0.61 -4.60 120.40 109.57 1u8k s VAL 82 Ca 0.32 0.74 -0.00 0.00 -1.81 0.00 0.00 61.98 61.23 1u8k s VAL 82 Cb -0.13 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 1u8k s VAL 82 CO 0.89 -0.46 0.02 -0.94 -0.31 0.00 0.00 175.10 174.30 1u8k s SER 83 N -2.74 0.62 0.48 4.85 1.04 -1.26 0.74 113.70 117.44 1u8k s SER 83 Ca 0.65 -1.14 0.35 0.00 0.48 0.00 0.00 55.95 56.28 1u8k s SER 83 Cb -0.18 0.22 1.49 0.00 0.10 0.00 0.00 66.02 67.65 1u8k s SER 83 CO 0.39 -0.64 1.67 -0.65 0.98 0.00 0.00 173.24 174.98 1u8k h PRO 84 N 2.89 0.08 0.00 4.02 0.11 -1.98 0.54 132.00 137.66 1u8k h PRO 84 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1u8k h PRO 84 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u8k h PRO 84 CO 0.62 0.06 0.00 1.33 -0.21 0.00 0.00 178.00 179.79 1u8k n VAL 85 N -4.40 0.99 1.68 3.15 0.24 -1.26 -1.68 118.33 117.04 1u8k n VAL 85 Ca 0.35 0.30 0.15 0.00 -2.04 0.00 0.00 64.34 63.10 1u8k n VAL 85 Cb 1.47 -1.19 0.71 0.00 -1.47 0.00 0.00 33.84 33.36 1u8k n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1u8k n ASP 86 N -1.93 0.69 -4.71 -1.34 8.00 0.19 -4.82 116.55 112.63 1u8k n ASP 86 Ca 0.02 -1.11 -0.42 0.00 0.71 0.00 0.00 54.79 53.99 1u8k n ASP 86 Cb 0.17 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1u8k n ASP 86 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1u8k s THR 87 N -2.10 3.08 -0.02 -3.53 -4.23 -0.68 -4.85 115.64 103.31 1u8k s THR 87 Ca 0.40 0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 61.35 1u8k s THR 87 Cb 0.21 -3.47 0.11 0.00 1.34 0.00 0.00 72.50 70.69 1u8k s THR 87 CO 0.38 0.05 1.29 0.00 -0.54 0.00 0.00 174.62 175.80 1u8k s ALA 88 N 1.36 -2.33 -0.20 3.99 0.00 -0.33 -4.48 121.76 119.78 1u8k s ALA 88 Ca 0.67 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 1u8k s ALA 88 Cb -0.39 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1u8k s ALA 88 CO 0.30 -1.09 0.27 0.99 0.00 0.00 0.00 175.76 176.23 1u8k s THR 89 N -2.24 5.30 -0.18 0.00 2.01 -0.29 -0.55 115.64 119.69 1u8k s THR 89 Ca 0.20 0.46 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 1u8k s THR 89 Cb 0.03 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1u8k s THR 89 CO -0.03 0.34 0.03 -0.31 -0.69 0.00 0.00 174.62 173.96 1u8k s TYR 90 N 0.91 3.14 0.04 4.92 1.51 0.74 0.10 117.35 128.72 1u8k s TYR 90 Ca 0.14 -0.14 0.09 0.00 -1.01 0.00 0.00 57.07 56.15 1u8k s TYR 90 Cb -0.13 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1u8k s TYR 90 CO 0.05 0.00 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.19 1u8k s PHE 91 N 0.57 2.38 0.16 2.71 0.40 0.17 -0.53 117.98 123.83 1u8k s PHE 91 Ca 0.01 -0.37 0.07 0.00 -0.60 0.00 0.00 56.93 56.03 1u8k s PHE 91 Cb -0.13 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1u8k s PHE 91 CO 0.02 0.16 0.00 0.00 0.70 0.00 0.00 175.22 176.10 1u8k s ALA 93 N -1.64 -0.71 -0.06 0.00 0.00 0.38 -1.04 121.76 118.70 1u8k s ALA 93 Ca 0.27 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1u8k s ALA 93 Cb -0.10 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1u8k s ALA 93 CO 0.19 -0.42 0.31 -1.58 0.00 0.00 0.00 175.76 174.25 1u8k s HIS 94 N -2.61 3.66 -0.12 0.00 5.65 0.85 -0.44 115.29 122.29 1u8k s HIS 94 Ca -0.05 0.80 0.03 0.00 0.25 0.00 0.00 55.06 56.09 1u8k s HIS 94 Cb -0.01 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 29.22 1u8k s HIS 94 CO -0.04 0.64 -0.22 0.50 -0.65 0.00 0.00 174.74 174.97 1u8k s ARG 95 N -0.91 3.06 0.70 2.88 3.52 0.18 -1.73 118.95 126.65 1u8k s ARG 95 Ca 0.20 -0.85 -0.13 0.00 -0.13 0.00 0.00 55.73 54.82 1u8k s ARG 95 Cb -0.15 -2.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.86 1u8k s ARG 95 CO 0.09 0.08 1.09 1.03 -0.81 0.00 0.00 175.30 176.79 1u8k s ARG 96 N 0.59 2.63 0.53 5.12 0.52 -1.26 -0.80 118.95 126.28 1u8k s ARG 96 Ca -0.12 1.24 0.05 0.00 -0.52 0.00 0.00 55.73 56.38 1u8k s ARG 96 Cb -0.17 -1.94 0.05 0.00 0.52 0.00 0.00 34.95 33.41 1u8k s ARG 96 CO 0.03 -1.36 0.73 0.20 0.02 0.00 0.00 175.30 174.92 1u8k s GLY 97 N -3.06 1.84 0.60 -3.53 0.00 -1.25 -4.30 107.32 97.62 1u8k s GLY 97 Ca 0.63 -1.69 -0.20 0.00 0.00 0.00 0.00 44.72 43.47 1u8k s GLY 97 CO 0.49 -1.37 1.31 -4.14 0.00 0.00 0.00 173.10 169.39 1u8k s PRO 98 N -4.64 2.85 0.25 2.90 0.02 -1.26 -4.56 135.00 130.56 1u8k s PRO 98 Ca 0.59 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 1u8k s PRO 98 Cb -0.09 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 1u8k s PRO 98 CO 0.37 -1.38 1.21 0.99 -0.33 0.00 0.00 177.00 177.86 1u8k s THR 99 N -1.38 3.28 0.17 0.99 2.01 0.14 -4.90 115.64 115.96 1u8k s THR 99 Ca 0.77 1.18 0.10 0.00 0.31 0.00 0.00 61.69 64.05 1u8k s THR 99 Cb -0.38 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1u8k s THR 99 CO 0.42 0.24 -0.22 0.42 -0.69 0.00 0.00 174.62 174.79 1u8k s THR 100 N -0.61 2.10 -0.10 -0.82 -4.23 -1.26 0.10 115.64 110.82 1u8k s THR 100 Ca 0.50 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1u8k s THR 100 Cb -0.35 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.55 1u8k s THR 100 CO 0.42 -0.18 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.05 1u8k s LEU 100 N -2.58 0.99 -1.44 4.79 2.96 0.23 -4.74 118.68 118.89 1u8k s LEU 100 Ca 0.17 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1u8k s LEU 100 Cb -0.07 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.91 1u8k s LEU 100 CO 0.08 -0.14 0.31 0.49 -1.32 0.00 0.00 176.35 175.76 1u8k n PHE 100 N 5.01 -1.54 -0.98 5.38 0.99 -1.26 -0.06 117.46 125.00 1u8k n PHE 100 Ca -0.11 0.70 0.00 0.00 -0.00 0.00 0.00 57.45 58.04 1u8k n PHE 100 Cb 0.50 -3.48 0.00 0.00 -1.00 0.00 0.00 39.48 35.50 1u8k n PHE 100 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1u8k n GLY 100 N -2.15 0.42 3.26 1.37 0.00 -1.26 -5.02 105.19 101.82 1u8k n GLY 100 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1u8k n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8k s VAL 100 N -1.96 2.58 -0.15 1.61 1.01 0.91 -5.04 120.40 119.35 1u8k s VAL 100 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1u8k s VAL 100 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1u8k s VAL 100 CO 0.00 0.53 1.77 -2.16 0.00 0.00 0.00 175.10 175.23 1u8k s PRO 100 N 0.69 3.82 -0.00 2.72 0.04 -1.26 0.74 135.00 141.74 1u8k s PRO 100 Ca -0.08 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.00 1u8k s PRO 100 Cb -0.16 -4.10 -0.10 0.00 0.04 0.00 0.00 34.50 30.19 1u8k s PRO 100 CO 0.02 -1.29 0.33 0.44 0.04 0.00 0.00 177.00 176.54 1u8k n ILE 100 N 6.31 0.00 -3.66 0.56 -5.35 0.11 -4.93 119.36 112.40 1u8k n ILE 100 Ca 0.20 -0.28 -0.10 0.00 -0.27 0.00 0.00 62.75 62.30 1u8k n ILE 100 Cb 0.44 0.87 -0.11 0.00 -1.74 0.00 0.00 39.64 39.10 1u8k n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u8k s ALA 100 N -1.95 -0.99 -1.88 -1.28 0.00 -1.12 -4.99 121.76 109.55 1u8k s ALA 100 Ca 0.02 1.36 0.23 0.00 0.00 0.00 0.00 51.96 53.57 1u8k s ALA 100 Cb 0.06 -1.22 0.09 0.00 0.00 0.00 0.00 23.12 22.05 1u8k s ALA 100 CO 0.35 -0.70 1.15 2.89 0.00 0.00 0.00 175.76 179.45 1u8k n ARG 100 N 5.31 1.01 -0.25 0.00 1.85 -1.26 0.28 116.66 123.60 1u8k n ARG 100 Ca -0.09 -0.81 0.04 0.00 -1.00 0.00 0.00 57.85 55.99 1u8k n ARG 100 Cb 0.50 -1.48 0.14 0.00 -1.05 0.00 0.00 32.46 30.56 1u8k n ARG 100 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1u8k h GLY 100 N 4.88 0.78 2.00 2.89 0.00 -1.96 -0.81 103.07 110.84 1u8k h GLY 100 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1u8k h GLY 100 CO 0.00 -0.28 0.00 -1.55 0.00 0.00 0.00 176.54 174.71 1u8k n PRO 100 N -5.36 0.14 0.00 4.80 -0.04 -1.26 -1.60 135.00 131.67 1u8k n PRO 100 Ca 0.12 0.59 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 1u8k n PRO 100 Cb 0.44 -1.91 0.61 0.00 -0.04 0.00 0.00 33.50 32.60 1u8k n PRO 100 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1u8k n VAL 100 N -2.19 0.00 -1.81 0.52 0.24 -0.31 -4.27 118.33 110.51 1u8k n VAL 100 Ca -0.01 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 1u8k n VAL 100 Cb 0.06 -0.44 -0.01 0.00 -1.47 0.00 0.00 33.84 31.98 1u8k n VAL 100 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u8k n ASN 100 N -1.47 7.97 0.00 -1.34 3.02 -0.63 -4.77 115.26 118.04 1u8k n ASN 100 Ca 0.08 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1u8k n ASN 100 Cb 0.33 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1u8k n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u8k n ALA 100 N 2.50 0.00 -3.81 5.41 0.00 -1.26 -5.07 120.51 118.28 1u8k n ALA 100 Ca 0.66 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.74 1u8k n ALA 100 Cb 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 1u8k n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1u8k s MET 100 N -2.00 1.94 0.42 0.00 -1.94 -1.26 -4.38 119.30 112.08 1u8k s MET 100 Ca 0.00 -1.86 0.22 0.00 -1.71 0.00 0.00 55.69 52.34 1u8k s MET 100 Cb 0.00 -3.53 0.40 0.00 2.01 0.00 0.00 34.83 33.70 1u8k s MET 100 CO 0.00 -1.06 1.62 0.38 -0.01 0.00 0.00 175.02 175.95 1u8k h ASP 101 N 7.93 0.00 -3.58 3.03 2.03 -1.70 -3.45 116.42 120.69 1u8k h ASP 101 Ca -0.11 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.88 1u8k h ASP 101 Cb 1.04 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.21 1u8k h ASP 101 CO 0.67 0.12 -0.74 -0.69 -1.03 0.00 0.00 179.24 177.58 1u8k s VAL 102 N -3.22 0.08 0.16 4.15 1.01 -1.24 -5.00 120.40 116.33 1u8k s VAL 102 Ca 0.06 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.23 1u8k s VAL 102 Cb 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 1u8k s VAL 102 CO 0.67 0.10 -0.20 0.26 0.00 0.00 0.00 175.10 175.93 1u8k s TRP 103 N 0.78 2.44 0.77 5.22 0.52 -1.26 -0.10 118.94 127.30 1u8k s TRP 103 Ca -0.07 -0.31 -0.11 0.00 0.02 0.00 0.00 56.10 55.63 1u8k s TRP 103 Cb -0.10 -1.25 0.06 0.00 -1.15 0.00 0.00 33.47 31.03 1u8k s TRP 103 CO -0.02 0.44 1.13 0.20 0.02 0.00 0.00 176.95 178.72 1u8k s GLY 104 N -2.42 1.61 0.60 0.98 0.00 -0.21 -4.67 107.32 103.21 1u8k s GLY 104 Ca 0.19 -0.64 0.35 0.00 0.00 0.00 0.00 44.72 44.63 1u8k s GLY 104 CO 0.10 -0.19 2.23 0.06 0.00 0.00 0.00 173.10 175.30 1u8k h GLN 105 N -0.89 0.00 0.00 2.90 3.07 -1.90 -3.44 115.11 114.85 1u8k h GLN 105 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1u8k h GLN 105 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1u8k h GLN 105 CO 0.65 0.03 0.00 0.41 0.09 0.00 0.00 178.83 180.01 1u8k n GLY 106 N -0.92 0.27 3.08 0.06 0.00 -1.26 -5.02 105.19 101.40 1u8k n GLY 106 Ca -0.02 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1u8k n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u8k s ILE 107 N -2.80 1.41 -0.15 -0.61 -1.16 0.31 -4.86 121.20 113.34 1u8k s ILE 107 Ca 0.00 -0.64 -0.20 0.00 -0.51 0.00 0.00 60.65 59.30 1u8k s ILE 107 Cb 0.00 -1.26 -0.03 0.00 0.61 0.00 0.00 42.46 41.78 1u8k s ILE 107 CO 0.00 0.42 0.59 -0.89 -2.81 0.00 0.00 174.94 172.24 1u8k s THR 108 N 0.55 5.08 -0.11 4.00 2.01 -1.26 -0.18 115.64 125.73 1u8k s THR 108 Ca -0.16 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.01 1u8k s THR 108 Cb -0.16 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1u8k s THR 108 CO 0.05 0.20 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.29 1u8k s VAL 109 N 1.34 1.87 -0.13 3.82 1.01 0.28 -4.57 120.40 124.03 1u8k s VAL 109 Ca 0.29 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1u8k s VAL 109 Cb -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1u8k s VAL 109 CO 0.12 0.52 -0.06 -0.89 0.00 0.00 0.00 175.10 174.78 1u8k s THR 110 N 0.64 3.68 -0.32 3.92 2.01 0.17 -1.19 115.64 124.56 1u8k s THR 110 Ca -0.12 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 1u8k s THR 110 Cb -0.16 -2.58 0.03 0.00 0.01 0.00 0.00 72.50 69.80 1u8k s THR 110 CO 0.03 0.52 0.08 -0.63 -0.69 0.00 0.00 174.62 173.94 1u8k s ILE 111 N 0.09 3.73 -0.03 1.82 1.09 -1.26 -1.17 121.20 125.48 1u8k s ILE 111 Ca -0.02 -1.05 -0.19 0.00 -1.10 0.00 0.00 60.65 58.29 1u8k s ILE 111 Cb -0.14 -3.06 0.04 0.00 -1.06 0.00 0.00 42.46 38.24 1u8k s ILE 111 CO 0.03 -0.10 0.41 -0.55 -0.10 0.00 0.00 174.94 174.64 1u8k s SER 112 N 1.41 -0.32 0.00 3.58 0.15 -0.61 -4.23 113.70 113.68 1u8k s SER 112 Ca -0.01 0.28 0.25 0.00 0.70 0.00 0.00 55.95 57.17 1u8k s SER 112 Cb -0.19 0.39 0.47 0.00 -1.71 0.00 0.00 66.02 64.98 1u8k s SER 112 CO 0.02 -0.48 1.40 -1.54 1.20 0.00 0.00 173.24 173.83 1u8k n SER 113 N 1.21 1.87 -4.81 5.45 3.41 -1.26 -3.94 113.62 115.56 1u8k n SER 113 Ca -0.21 -1.46 -0.33 0.00 -0.26 0.00 0.00 58.87 56.61 1u8k n SER 113 Cb 0.56 0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 1u8k n SER 113 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u8k s THR 114 N -2.27 3.92 0.47 6.66 -4.23 -1.26 -5.04 115.64 113.89 1u8k s THR 114 Ca 0.26 1.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.81 1u8k s THR 114 Cb 0.19 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.59 1u8k s THR 114 CO 0.44 -0.45 0.66 -0.44 -0.54 0.00 0.00 174.62 174.29 1u8k s SER 115 N -2.58 5.57 0.35 3.99 0.01 -1.26 -5.02 113.70 114.76 1u8k s SER 115 Ca 0.64 -0.08 -0.26 0.00 1.31 0.00 0.00 55.95 57.55 1u8k s SER 115 Cb -0.15 -0.99 -0.13 0.00 0.21 0.00 0.00 66.02 64.96 1u8k s SER 115 CO 0.31 -0.87 0.96 0.41 0.41 0.00 0.00 173.24 174.46 1u8k n THR 116 N -2.07 2.12 -3.60 1.44 -1.04 -1.26 -4.72 114.28 105.14 1u8k n THR 116 Ca 0.06 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.54 1u8k n THR 116 Cb 0.59 -1.01 -0.05 0.00 -1.82 0.00 0.00 70.33 68.04 1u8k n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1u8k s LYS 117 N -1.71 0.54 0.61 -2.82 2.20 0.14 -4.92 119.74 113.77 1u8k s LYS 117 Ca 0.61 1.12 -0.15 0.00 -0.36 0.00 0.00 55.97 57.18 1u8k s LYS 117 Cb -0.64 0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 36.07 1u8k s LYS 117 CO 0.59 -0.15 1.07 0.20 -0.36 0.00 0.00 175.35 176.70 1u8k s GLY 118 N 2.13 2.12 0.73 5.54 0.00 -1.26 -0.40 107.32 116.18 1u8k s GLY 118 Ca -0.07 0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 1u8k s GLY 118 CO -0.18 0.74 1.11 2.56 0.00 0.00 0.00 173.10 177.33 1u8k s PRO 119 N -4.09 2.57 -0.10 2.90 0.04 -1.26 -4.52 135.00 130.54 1u8k s PRO 119 Ca 0.64 0.31 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 1u8k s PRO 119 Cb -0.17 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1u8k s PRO 119 CO 0.38 -1.19 0.01 -1.12 0.04 0.00 0.00 177.00 175.11 1u8k s SER 120 N -4.43 5.25 -0.18 6.66 0.01 0.32 -4.91 113.70 116.43 1u8k s SER 120 Ca 0.59 0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.95 1u8k s SER 120 Cb -0.11 -1.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 1u8k s SER 120 CO 0.50 0.35 -0.07 -0.69 0.41 0.00 0.00 173.24 173.75 1u8k s VAL 121 N -0.73 3.37 0.06 3.43 1.01 -1.26 -0.48 120.40 125.79 1u8k s VAL 121 Ca 0.11 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1u8k s VAL 121 Cb -0.12 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1u8k s VAL 121 CO 0.02 0.47 -0.26 -0.36 0.00 0.00 0.00 175.10 174.97 1u8k s PHE 122 N 0.88 2.30 0.50 5.22 2.99 -0.09 -4.94 117.98 124.83 1u8k s PHE 122 Ca -0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 56.93 56.31 1u8k s PHE 122 Cb -0.15 -1.36 -0.08 0.00 0.00 0.00 0.00 43.02 41.44 1u8k s PHE 122 CO 0.01 0.15 1.03 -1.25 -0.00 0.00 0.00 175.22 175.16 1u8k s PRO 123 N -1.36 3.77 -0.25 0.24 0.04 -1.26 -0.06 135.00 136.12 1u8k s PRO 123 Ca 0.12 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1u8k s PRO 123 Cb -0.10 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.41 1u8k s PRO 123 CO 0.03 -0.45 -0.09 -0.51 0.04 0.00 0.00 177.00 176.02 1u8k s LEU 124 N -3.64 3.19 -0.07 -3.56 1.43 0.27 -4.76 118.68 111.54 1u8k s LEU 124 Ca 0.66 -1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1u8k s LEU 124 Cb -0.15 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.66 1u8k s LEU 124 CO 0.22 -0.21 0.01 0.00 0.23 0.00 0.00 176.35 176.60 1u8k s ALA 125 N 1.19 0.68 0.29 4.21 0.00 -1.26 -0.08 121.76 126.79 1u8k s ALA 125 Ca -0.08 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1u8k s ALA 125 Cb -0.20 -0.75 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 1u8k s ALA 125 CO -0.06 -0.47 1.61 -1.25 0.00 0.00 0.00 175.76 175.59 1u8k s PRO 126 N 1.98 4.12 0.46 0.00 0.04 -1.26 -4.81 135.00 135.53 1u8k s PRO 126 Ca 0.05 2.58 0.27 0.00 0.04 0.00 0.00 61.00 63.95 1u8k s PRO 126 Cb -0.12 -3.03 1.32 0.00 0.04 0.00 0.00 34.50 32.72 1u8k s PRO 126 CO -0.05 -0.64 1.76 0.00 0.04 0.00 0.00 177.00 178.10 1u8k n SER 128 N -4.46 0.05 0.00 0.00 2.88 -1.26 -4.78 113.62 106.05 1u8k n SER 128 Ca 0.27 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1u8k n SER 128 Cb 1.11 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 1u8k n SER 128 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1u8k n THR 135 N -2.82 0.00 -4.10 2.46 -2.24 -0.50 -5.01 114.28 102.07 1u8k n THR 135 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1u8k n THR 135 Cb 0.19 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1u8k n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u8k s ALA 136 N 0.00 3.56 0.00 6.98 0.00 0.24 -4.91 121.76 127.63 1u8k s ALA 136 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1u8k s ALA 136 Cb 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 1u8k s ALA 136 CO 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 175.76 176.19 1u8k s ALA 137 N -1.84 0.11 0.13 0.00 0.00 -1.26 -0.52 121.76 118.38 1u8k s ALA 137 Ca 0.31 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.01 1u8k s ALA 137 Cb -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1u8k s ALA 137 CO 0.24 -0.01 0.24 -0.48 0.00 0.00 0.00 175.76 175.74 1u8k s LEU 138 N -0.35 1.16 0.00 0.00 2.34 -0.44 -4.14 118.68 117.25 1u8k s LEU 138 Ca -0.03 -0.78 -0.01 0.00 0.06 0.00 0.00 54.13 53.37 1u8k s LEU 138 Cb -0.02 1.12 0.00 0.00 -0.56 0.00 0.00 46.19 46.72 1u8k s LEU 138 CO -0.00 -0.82 0.04 0.61 -1.06 0.00 0.00 176.35 175.11 1u8k n GLY 139 N -0.15 1.04 3.08 -3.48 0.00 0.89 0.42 105.19 106.99 1u8k n GLY 139 Ca -0.11 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1u8k n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8k s LEU 141 N -0.18 4.21 -0.74 0.00 2.96 0.91 -0.90 118.68 124.95 1u8k s LEU 141 Ca 0.03 -0.75 -0.16 0.00 -0.22 0.00 0.00 54.13 53.03 1u8k s LEU 141 Cb -0.06 -1.96 0.17 0.00 0.50 0.00 0.00 46.19 44.83 1u8k s LEU 141 CO -0.00 -0.25 0.74 -0.69 -1.32 0.00 0.00 176.35 174.83 1u8k s VAL 142 N 1.55 5.27 -0.01 1.68 1.01 0.13 -0.92 120.40 129.11 1u8k s VAL 142 Ca 0.03 -1.88 -0.02 0.00 0.00 0.00 0.00 61.98 60.11 1u8k s VAL 142 Cb -0.18 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1u8k s VAL 142 CO 0.05 -1.07 0.12 -0.75 0.00 0.00 0.00 175.10 173.44 1u8k s LYS 143 N 1.25 3.21 -1.06 2.72 2.20 0.37 -1.44 119.74 126.98 1u8k s LYS 143 Ca 0.15 -0.41 -0.10 0.00 -0.36 0.00 0.00 55.97 55.25 1u8k s LYS 143 Cb -0.16 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1u8k s LYS 143 CO -0.04 0.67 0.88 -0.25 -0.36 0.00 0.00 175.35 176.25 1u8k n ASP 144 N 1.18 -6.31 -4.63 1.43 8.00 -0.68 -0.52 116.55 115.01 1u8k n ASP 144 Ca -0.13 -0.78 -0.27 0.00 0.71 0.00 0.00 54.79 54.32 1u8k n ASP 144 Cb 0.53 -4.68 -0.10 0.00 -0.02 0.00 0.00 41.12 36.85 1u8k n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1u8k s TYR 145 N -3.40 2.52 -0.29 1.24 1.13 -0.51 -4.31 117.35 113.73 1u8k s TYR 145 Ca 0.45 -0.63 -0.24 0.00 -1.41 0.00 0.00 57.07 55.24 1u8k s TYR 145 Cb -0.09 -1.76 0.15 0.00 -1.10 0.00 0.00 41.96 39.16 1u8k s TYR 145 CO 0.78 0.42 1.14 0.12 -2.51 0.00 0.00 175.55 175.50 1u8k s PHE 146 N -2.68 -0.36 0.00 -3.49 2.19 0.46 0.04 117.98 114.14 1u8k s PHE 146 Ca 0.36 0.85 0.00 0.00 0.33 0.00 0.00 56.93 58.47 1u8k s PHE 146 Cb 0.08 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.17 1u8k s PHE 146 CO 0.19 -0.17 0.00 -0.35 1.83 0.00 0.00 175.22 176.71 1u8k n PRO 147 N 2.21 1.79 -1.66 10.12 -0.04 -1.26 0.28 135.00 146.44 1u8k n PRO 147 Ca -0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 1u8k n PRO 147 Cb 0.56 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.06 1u8k n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1u8k s GLU 148 N 0.44 3.03 0.54 0.54 0.41 -1.26 -4.75 118.70 117.66 1u8k s GLU 148 Ca 0.00 0.98 0.06 0.00 -0.41 0.00 0.00 54.97 55.61 1u8k s GLU 148 Cb 0.00 -2.00 0.05 0.00 -1.78 0.00 0.00 34.13 30.39 1u8k s GLU 148 CO 0.00 -1.03 0.49 -1.25 -0.49 0.00 0.00 175.26 172.98 1u8k s PRO 149 N -4.90 2.28 0.03 0.39 0.04 -1.26 -4.99 135.00 126.60 1u8k s PRO 149 Ca 0.59 -1.91 0.04 0.00 0.04 0.00 0.00 61.00 59.75 1u8k s PRO 149 Cb -0.14 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1u8k s PRO 149 CO 0.52 -0.65 -0.12 0.54 0.04 0.00 0.00 177.00 177.34 1u8k s VAL 150 N -2.73 0.93 -0.09 -0.36 0.11 -1.26 -4.53 120.40 112.46 1u8k s VAL 150 Ca 0.41 -0.91 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 1u8k s VAL 150 Cb -0.03 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1u8k s VAL 150 CO 0.25 -0.04 0.06 0.42 -3.33 0.00 0.00 175.10 172.46 1u8k s THR 151 N -0.84 4.80 -0.04 5.04 -4.23 0.20 -4.96 115.64 115.61 1u8k s THR 151 Ca -0.00 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1u8k s THR 151 Cb -0.07 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.73 1u8k s THR 151 CO 0.01 0.58 0.03 -0.69 -0.54 0.00 0.00 174.62 174.01 1u8k s VAL 152 N -0.97 0.04 0.25 2.29 1.01 -1.26 -1.28 120.40 120.47 1u8k s VAL 152 Ca 0.15 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1u8k s VAL 152 Cb -0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1u8k s VAL 152 CO 0.04 0.16 0.06 -0.94 0.00 0.00 0.00 175.10 174.43 1u8k s SER 153 N 1.59 1.41 -0.08 3.32 1.04 -0.12 -4.94 113.70 115.91 1u8k s SER 153 Ca -0.02 -1.33 0.04 0.00 0.48 0.00 0.00 55.95 55.12 1u8k s SER 153 Cb -0.13 0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.10 1u8k s SER 153 CO -0.03 -0.66 -0.22 0.26 0.98 0.00 0.00 173.24 173.57 1u8k s TRP 154 N -3.64 2.34 -1.22 5.02 0.52 -1.26 0.12 118.94 120.82 1u8k s TRP 154 Ca 0.34 -0.89 -0.07 0.00 0.02 0.00 0.00 56.10 55.50 1u8k s TRP 154 Cb 0.07 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.81 1u8k s TRP 154 CO 0.12 -0.35 0.76 0.09 0.02 0.00 0.00 176.95 177.58 1u8k n ASN 155 N 3.43 -3.20 -0.74 2.95 3.02 0.39 -1.22 115.26 119.90 1u8k n ASN 155 Ca -0.19 -0.86 -0.06 0.00 -0.03 0.00 0.00 54.58 53.44 1u8k n ASN 155 Cb 0.53 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 1u8k n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1u8k n SER 156 N -2.98 -3.12 0.00 6.41 7.64 -1.26 -0.39 113.62 119.92 1u8k n SER 156 Ca -0.21 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1u8k n SER 156 Cb 0.64 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.30 1u8k n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u8k n GLY 157 N 0.13 0.95 0.19 0.23 0.00 -0.36 -4.99 105.19 101.34 1u8k n GLY 157 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1u8k n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8k h ALA 158 N 0.00 0.50 -2.72 4.61 0.00 -0.49 -3.42 119.26 117.74 1u8k h ALA 158 Ca 0.00 -0.60 -0.62 0.00 0.00 0.00 0.00 54.91 53.68 1u8k h ALA 158 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.61 1u8k h ALA 158 CO 0.00 0.74 -0.19 -1.17 0.00 0.00 0.00 179.25 178.62 1u8k s LEU 159 N -8.11 4.06 0.00 0.00 2.96 -0.89 -4.84 118.68 111.86 1u8k s LEU 159 Ca -0.07 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1u8k s LEU 159 Cb 0.10 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1u8k s LEU 159 CO 0.86 -0.18 0.00 0.35 -1.32 0.00 0.00 176.35 176.06 1u8k n THR 160 N 5.01 0.00 -1.71 3.68 -2.24 -1.26 -4.17 114.28 113.58 1u8k n THR 160 Ca -0.08 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 1u8k n THR 160 Cb 0.51 -0.29 0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1u8k n THR 160 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1u8k n SER 161 N -1.93 2.37 0.00 3.42 2.88 -1.26 -2.13 113.62 116.97 1u8k n SER 161 Ca 0.00 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1u8k n SER 161 Cb 0.26 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 1u8k n SER 161 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u8k n GLY 162 N 0.85 0.03 3.80 0.46 0.00 -1.26 -4.76 105.19 104.31 1u8k n GLY 162 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1u8k n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8k s VAL 163 N -1.06 5.02 -0.18 1.61 1.01 -0.91 -0.41 120.40 125.47 1u8k s VAL 163 Ca 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1u8k s VAL 163 Cb 0.00 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.67 1u8k s VAL 163 CO 0.00 0.51 0.04 -1.00 0.00 0.00 0.00 175.10 174.66 1u8k s HIS 164 N -0.66 0.85 -0.32 5.22 3.76 0.90 -4.99 115.29 120.04 1u8k s HIS 164 Ca 0.25 -0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 54.34 1u8k s HIS 164 Cb -0.17 -0.95 -0.00 0.00 1.11 0.00 0.00 32.58 32.57 1u8k s HIS 164 CO 0.14 -0.58 0.16 0.99 -0.85 0.00 0.00 174.74 174.59 1u8k s THR 165 N 1.92 4.60 0.41 1.30 2.01 -1.26 -0.46 115.64 124.16 1u8k s THR 165 Ca -0.00 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 1u8k s THR 165 Cb -0.17 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 1u8k s THR 165 CO -0.08 0.04 0.88 -0.36 -0.69 0.00 0.00 174.62 174.41 1u8k s PHE 166 N 1.61 3.36 0.49 4.92 0.40 -0.09 -5.00 117.98 123.68 1u8k s PHE 166 Ca 0.04 1.43 -0.24 0.00 -0.60 0.00 0.00 56.93 57.57 1u8k s PHE 166 Cb -0.17 -2.72 -0.07 0.00 0.51 0.00 0.00 43.02 40.57 1u8k s PHE 166 CO 0.06 -0.09 1.37 -1.25 0.70 0.00 0.00 175.22 176.00 1u8k s PRO 167 N -3.32 3.48 0.63 0.24 0.04 -1.26 -4.45 135.00 130.37 1u8k s PRO 167 Ca 0.59 2.27 -0.15 0.00 0.04 0.00 0.00 61.00 63.74 1u8k s PRO 167 Cb -0.10 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1u8k s PRO 167 CO 0.18 -0.93 1.08 0.00 0.04 0.00 0.00 177.00 177.38 1u8k s ALA 168 N -1.28 2.61 0.02 8.56 0.00 -1.26 -4.79 121.76 125.63 1u8k s ALA 168 Ca 0.65 0.43 0.05 0.00 0.00 0.00 0.00 51.96 53.10 1u8k s ALA 168 Cb -0.41 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1u8k s ALA 168 CO 0.50 -1.06 -0.12 0.14 0.00 0.00 0.00 175.76 175.22 1u8k s VAL 169 N -2.46 3.22 -0.42 0.00 -7.23 0.21 -4.92 120.40 108.81 1u8k s VAL 169 Ca 0.65 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.65 1u8k s VAL 169 Cb -0.18 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1u8k s VAL 169 CO 0.41 0.36 0.50 -0.22 -0.31 0.00 0.00 175.10 175.84 1u8k s LEU 170 N -1.45 4.70 0.77 1.32 0.20 -1.26 -1.23 118.68 121.74 1u8k s LEU 170 Ca 0.16 -0.51 -0.11 0.00 0.69 0.00 0.00 54.13 54.35 1u8k s LEU 170 Cb -0.11 -2.51 0.05 0.00 -0.43 0.00 0.00 46.19 43.20 1u8k s LEU 170 CO 0.07 -0.63 1.09 -1.10 -0.29 0.00 0.00 176.35 175.49 1u8k s GLN 171 N 2.37 2.32 0.42 1.98 -0.21 0.37 -4.90 119.66 122.00 1u8k s GLN 171 Ca 0.16 0.68 0.29 0.00 0.02 0.00 0.00 55.36 56.51 1u8k s GLN 171 Cb -0.16 -1.94 1.48 0.00 1.00 0.00 0.00 33.01 33.39 1u8k s GLN 171 CO 0.15 -1.47 1.88 0.66 -2.12 0.00 0.00 175.29 174.39 1u8k h SER 172 N -0.98 0.00 0.90 5.90 4.64 -1.97 0.24 113.55 122.27 1u8k h SER 172 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1u8k h SER 172 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1u8k h SER 172 CO 0.59 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 1u8k n SER 173 N -2.53 0.00 0.00 4.97 3.41 -1.26 -4.88 113.62 113.32 1u8k n SER 173 Ca -0.01 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1u8k n SER 173 Cb 0.10 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1u8k n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8k n GLY 174 N 1.35 0.74 3.70 5.00 0.00 0.83 -4.75 105.19 112.07 1u8k n GLY 174 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1u8k n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u8k s LEU 175 N 0.00 3.44 0.33 0.99 1.43 -1.25 -4.55 118.68 119.07 1u8k s LEU 175 Ca 0.00 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1u8k s LEU 175 Cb 0.00 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1u8k s LEU 175 CO 0.00 0.05 0.52 -0.31 0.23 0.00 0.00 176.35 176.84 1u8k s TYR 176 N -1.90 3.49 -0.17 0.29 2.02 0.11 -0.48 117.35 120.71 1u8k s TYR 176 Ca 0.29 0.30 -0.16 0.00 -0.37 0.00 0.00 57.07 57.13 1u8k s TYR 176 Cb -0.09 -1.85 0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1u8k s TYR 176 CO 0.20 0.17 0.45 0.45 -1.57 0.00 0.00 175.55 175.26 1u8k s SER 177 N -4.02 -0.47 0.16 2.29 0.15 -0.36 -1.43 113.70 110.01 1u8k s SER 177 Ca 0.39 0.89 -0.07 0.00 0.70 0.00 0.00 55.95 57.86 1u8k s SER 177 Cb -0.09 0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 65.11 1u8k s SER 177 CO 0.35 -0.17 0.24 -1.48 1.20 0.00 0.00 173.24 173.38 1u8k s LEU 178 N 0.18 1.13 0.08 3.45 0.05 -0.52 -0.62 118.68 122.43 1u8k s LEU 178 Ca -0.00 -0.93 0.06 0.00 0.05 0.00 0.00 54.13 53.30 1u8k s LEU 178 Cb -0.03 1.02 -0.03 0.00 -2.05 0.00 0.00 46.19 45.10 1u8k s LEU 178 CO 0.01 -0.86 -0.15 -0.94 -0.55 0.00 0.00 176.35 173.86 1u8k s SER 179 N -2.98 1.82 -0.03 1.48 1.04 -1.26 0.19 113.70 113.95 1u8k s SER 179 Ca 0.18 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.99 1u8k s SER 179 Cb 0.04 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1u8k s SER 179 CO 0.00 -0.06 -0.08 -0.55 0.98 0.00 0.00 173.24 173.53 1u8k s SER 180 N -1.82 1.13 0.10 7.02 0.15 -0.08 -0.91 113.70 119.29 1u8k s SER 180 Ca -0.00 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.50 1u8k s SER 180 Cb -0.10 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 1u8k s SER 180 CO 0.03 0.02 -0.07 0.68 1.20 0.00 0.00 173.24 175.10 1u8k s VAL 181 N 0.45 0.73 -0.02 4.45 -7.23 0.39 0.15 120.40 119.32 1u8k s VAL 181 Ca -0.07 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1u8k s VAL 181 Cb -0.11 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1u8k s VAL 181 CO 0.01 -0.82 -0.07 0.54 -0.31 0.00 0.00 175.10 174.44 1u8k s VAL 182 N -3.41 0.63 -0.19 1.32 0.11 0.17 -0.07 120.40 118.95 1u8k s VAL 182 Ca 0.10 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1u8k s VAL 182 Cb 0.04 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1u8k s VAL 182 CO -0.04 0.20 0.05 -0.89 -3.33 0.00 0.00 175.10 171.09 1u8k s THR 183 N 0.19 4.53 0.25 5.04 2.01 0.45 -1.33 115.64 126.77 1u8k s THR 183 Ca -0.02 -0.12 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1u8k s THR 183 Cb -0.07 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1u8k s THR 183 CO 0.00 0.44 -0.01 0.68 -0.69 0.00 0.00 174.62 175.04 1u8k s VAL 184 N 0.66 1.18 -1.62 3.82 -7.23 0.32 -4.56 120.40 112.97 1u8k s VAL 184 Ca 0.02 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1u8k s VAL 184 Cb -0.13 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1u8k s VAL 184 CO 0.02 -0.29 0.41 -2.65 -0.31 0.00 0.00 175.10 172.29 1u8k n PRO 185 N -0.48 0.51 0.00 4.82 -0.02 -1.26 -0.59 135.00 137.98 1u8k n PRO 185 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1u8k n PRO 185 Cb 0.64 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 1u8k n PRO 185 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u8k n SER 186 N -0.22 0.00 -0.25 2.55 2.88 -1.26 -4.34 113.62 112.98 1u8k n SER 186 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1u8k n SER 186 Cb 0.05 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.68 1u8k n SER 186 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1u8k h SER 187 N 0.00 -0.23 0.00 -3.46 0.02 -2.02 0.56 113.55 108.42 1u8k h SER 187 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1u8k h SER 187 Cb 0.00 0.30 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1u8k h SER 187 CO 0.00 -0.14 0.00 -0.24 -1.14 0.00 0.00 176.83 175.31 1u8k n SER 188 N -5.29 0.00 0.17 3.07 2.88 -1.26 -2.65 113.62 110.55 1u8k n SER 188 Ca 0.14 -0.37 0.06 0.00 -1.33 0.00 0.00 58.87 57.37 1u8k n SER 188 Cb 0.47 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.09 1u8k n SER 188 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1u8k h LEU 189 N 0.00 0.00 0.00 2.46 3.38 -0.16 -2.66 115.31 118.33 1u8k h LEU 189 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1u8k h LEU 189 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1u8k h LEU 189 CO 0.00 0.35 -2.20 0.61 0.09 0.00 0.00 178.44 177.29 1u8k n GLY 190 N 0.93 -0.96 0.09 0.83 0.00 -1.08 -4.68 105.19 100.30 1u8k n GLY 190 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 1u8k n GLY 190 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u8k h THR 191 N 0.00 0.00 -3.17 2.61 1.35 -1.67 -3.47 112.91 108.57 1u8k h THR 191 Ca -0.33 -0.38 -0.55 0.00 -0.55 0.00 0.00 66.41 64.60 1u8k h THR 191 Cb 1.74 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1u8k h THR 191 CO 0.02 0.00 -0.23 -1.58 -0.25 0.00 0.00 175.52 173.47 1u8k s GLN 192 N -2.06 3.64 0.07 4.72 0.74 -1.01 -5.10 119.66 120.65 1u8k s GLN 192 Ca -0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.32 1u8k s GLN 192 Cb 0.00 -2.75 -0.05 0.00 1.10 0.00 0.00 33.01 31.31 1u8k s GLN 192 CO 0.07 0.36 0.26 0.95 -0.55 0.00 0.00 175.29 176.38 1u8k s THR 193 N -1.84 5.33 -0.17 -0.34 -4.23 -1.26 -4.73 115.64 108.39 1u8k s THR 193 Ca 0.42 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1u8k s THR 193 Cb -0.11 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.15 1u8k s THR 193 CO 0.26 0.16 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.08 1u8k s TYR 194 N -1.50 2.19 -0.08 3.99 1.51 -1.25 -4.93 117.35 117.27 1u8k s TYR 194 Ca 0.35 -1.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 1u8k s TYR 194 Cb -0.13 -1.56 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1u8k s TYR 194 CO 0.25 -0.69 -0.10 0.95 -1.11 0.00 0.00 175.55 174.85 1u8k s THR 195 N 1.48 1.04 0.01 -0.71 -4.23 -1.26 0.17 115.64 112.14 1u8k s THR 195 Ca 0.02 -0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 60.01 1u8k s THR 195 Cb -0.15 -0.99 -0.06 0.00 1.34 0.00 0.00 72.50 72.64 1u8k s THR 195 CO -0.09 0.35 0.40 0.00 -0.54 0.00 0.00 174.62 174.73 1u8k s ASN 197 N -1.22 5.12 -0.09 0.00 -0.87 0.32 -1.21 114.94 116.99 1u8k s ASN 197 Ca 0.25 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 51.15 1u8k s ASN 197 Cb -0.16 -1.91 -0.02 0.00 -0.02 0.00 0.00 41.25 39.15 1u8k s ASN 197 CO 0.14 -0.11 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.70 1u8k s VAL 198 N 1.57 2.75 -0.11 1.60 1.01 0.17 -0.94 120.40 126.44 1u8k s VAL 198 Ca 0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1u8k s VAL 198 Cb -0.16 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.16 1u8k s VAL 198 CO 0.03 0.55 -0.01 0.21 0.00 0.00 0.00 175.10 175.89 1u8k s ASN 199 N -0.04 2.06 -0.71 3.32 3.04 -0.41 0.09 114.94 122.30 1u8k s ASN 199 Ca -0.05 -0.33 -0.03 0.00 0.04 0.00 0.00 52.86 52.50 1u8k s ASN 199 Cb -0.14 -0.56 0.18 0.00 -1.54 0.00 0.00 41.25 39.18 1u8k s ASN 199 CO 0.04 -0.21 0.55 -2.28 -3.04 0.00 0.00 177.10 172.16 1u8k s HIS 200 N 1.89 3.55 0.21 0.43 5.65 0.48 -0.63 115.29 126.86 1u8k s HIS 200 Ca 0.03 -2.80 -0.11 0.00 0.25 0.00 0.00 55.06 52.44 1u8k s HIS 200 Cb -0.14 -3.22 0.29 0.00 -1.18 0.00 0.00 32.58 28.34 1u8k s HIS 200 CO -0.06 -0.81 1.65 0.87 -0.65 0.00 0.00 174.74 175.74 1u8k h LYS 201 N 6.72 0.09 -1.16 2.88 1.79 -1.83 -2.16 116.57 122.90 1u8k h LYS 201 Ca 0.04 -0.01 0.33 0.00 -2.18 0.00 0.00 60.65 58.84 1u8k h LYS 201 Cb 0.91 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.46 1u8k h LYS 201 CO 0.75 0.06 0.79 -1.35 -1.08 0.00 0.00 179.45 178.62 1u8k h PRO 202 N 0.09 0.17 -0.14 3.15 0.11 -1.92 -1.53 132.00 131.94 1u8k h PRO 202 Ca 0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1u8k h PRO 202 Cb 0.53 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1u8k h PRO 202 CO -0.56 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.21 1u8k n SER 203 N -4.43 2.32 -3.45 -2.05 3.41 -0.86 -4.93 113.62 103.62 1u8k n SER 203 Ca 0.27 -1.94 -0.20 0.00 -0.26 0.00 0.00 58.87 56.75 1u8k n SER 203 Cb 1.13 -0.09 0.06 0.00 -0.26 0.00 0.00 64.21 65.06 1u8k n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1u8k n ASN 204 N -0.05 -4.36 -3.95 4.04 3.02 -0.58 -4.84 115.26 108.55 1u8k n ASN 204 Ca 0.05 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.52 1u8k n ASN 204 Cb 0.31 -4.64 -0.15 0.00 -0.61 0.00 0.00 39.78 34.69 1u8k n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u8k s THR 205 N -3.45 1.85 -0.14 3.41 2.01 -0.95 -5.01 115.64 113.36 1u8k s THR 205 Ca 0.28 -1.91 -0.02 0.00 0.31 0.00 0.00 61.69 60.35 1u8k s THR 205 Cb -0.06 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1u8k s THR 205 CO 0.77 -0.49 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.60 1u8k s LYS 206 N 1.15 3.51 -0.03 4.92 1.02 -1.26 -0.39 119.74 128.65 1u8k s LYS 206 Ca 0.06 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 1u8k s LYS 206 Cb -0.19 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1u8k s LYS 206 CO -0.11 0.25 0.08 0.08 -0.92 0.00 0.00 175.35 174.73 1u8k s VAL 207 N 0.29 -0.01 -0.20 3.17 1.01 0.11 -5.00 120.40 119.77 1u8k s VAL 207 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1u8k s VAL 207 Cb -0.15 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1u8k s VAL 207 CO 0.04 0.02 -0.17 -1.81 0.00 0.00 0.00 175.10 173.18 1u8k s ASP 208 N 0.32 3.47 -0.22 3.32 1.01 -1.26 0.45 116.67 123.77 1u8k s ASP 208 Ca -0.02 -0.81 0.01 0.00 0.71 0.00 0.00 52.55 52.43 1u8k s ASP 208 Cb -0.04 -1.51 0.03 0.00 1.01 0.00 0.00 42.92 42.42 1u8k s ASP 208 CO -0.01 -0.04 -0.14 -0.75 0.21 0.00 0.00 175.17 174.43 1u8k s LYS 209 N 1.25 2.72 -0.03 8.23 2.20 -0.35 -4.94 119.74 128.83 1u8k s LYS 209 Ca 0.02 -1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 54.30 1u8k s LYS 209 Cb -0.15 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1u8k s LYS 209 CO -0.11 -0.37 1.21 0.50 -0.36 0.00 0.00 175.35 176.22 1u8k s ARG 210 N 1.24 4.37 -0.11 4.03 3.52 -1.26 -1.07 118.95 129.66 1u8k s ARG 210 Ca -0.01 1.70 0.01 0.00 -0.13 0.00 0.00 55.73 57.31 1u8k s ARG 210 Cb -0.16 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1u8k s ARG 210 CO -0.08 -0.41 -0.14 0.08 -0.81 0.00 0.00 175.30 173.93 1u8k s VAL 211 N 1.98 2.97 0.08 7.11 1.01 0.44 -4.94 120.40 129.04 1u8k s VAL 211 Ca 0.57 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1u8k s VAL 211 Cb -0.26 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1u8k s VAL 211 CO 0.24 0.54 -0.01 -1.83 0.00 0.00 0.00 175.10 174.04 1u8k s GLU 212 N 0.10 0.72 0.93 2.72 -1.05 -1.26 -3.94 118.70 116.91 1u8k s GLU 212 Ca -0.06 -1.29 -0.16 0.00 -0.15 0.00 0.00 54.97 53.30 1u8k s GLU 212 Cb -0.15 0.20 -0.11 0.00 -0.44 0.00 0.00 34.13 33.63 1u8k s GLU 212 CO 0.05 -0.15 -0.48 -2.30 0.95 0.00 0.00 175.26 173.33 1u8k n PRO 213 N 0.04 -0.03 0.00 -4.83 -0.02 -1.26 -4.82 135.00 124.08 1u8k n PRO 213 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1u8k n PRO 213 Cb 0.62 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1u8k n PRO 213 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1u8k n LYS 214 N 1.57 3.12 0.00 -0.52 -0.00 -1.26 -5.08 118.16 115.99 1u8k n LYS 214 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1u8k n LYS 214 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 1u8k n LYS 214 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83