#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8k n LEU 2 N 0.00 -2.52 -4.55 0.00 0.00 -1.17 -4.67 117.00 104.09 1u8k n LEU 2 Ca 0.00 0.36 -0.40 0.00 0.00 0.00 0.00 56.01 55.97 1u8k n LEU 2 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 43.42 42.87 1u8k n LEU 2 CO 0.00 -3.11 1.31 -1.58 0.00 0.00 0.00 177.39 174.01 1u8k s GLN 3 N -0.72 3.14 -0.15 1.96 0.74 -1.26 -4.40 119.66 118.97 1u8k s GLN 3 Ca 0.34 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.49 1u8k s GLN 3 Cb -0.28 -4.48 0.02 0.00 1.10 0.00 0.00 33.01 29.37 1u8k s GLN 3 CO 0.43 -2.32 -0.16 -0.51 -0.55 0.00 0.00 175.29 172.18 1u8k s LEU 4 N 6.37 1.81 -0.26 3.68 1.43 -1.26 -1.31 118.68 129.14 1u8k s LEU 4 Ca 0.44 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1u8k s LEU 4 Cb -0.07 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1u8k s LEU 4 CO 0.10 -0.02 0.07 -0.89 0.23 0.00 0.00 176.35 175.84 1u8k s THR 5 N 1.29 4.20 0.14 5.49 2.01 0.60 -4.00 115.64 125.37 1u8k s THR 5 Ca 0.02 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 1u8k s THR 5 Cb -0.14 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 1u8k s THR 5 CO -0.08 0.30 0.46 -1.10 -0.69 0.00 0.00 174.62 173.50 1u8k s GLN 6 N 1.59 3.80 -0.08 4.92 -0.21 -1.26 -0.82 119.66 127.60 1u8k s GLN 6 Ca 0.06 0.23 -0.04 0.00 0.02 0.00 0.00 55.36 55.62 1u8k s GLN 6 Cb -0.15 -2.88 0.03 0.00 1.00 0.00 0.00 33.01 31.01 1u8k s GLN 6 CO 0.03 0.47 0.18 -1.12 -2.12 0.00 0.00 175.29 172.73 1u8k s SER 7 N -1.99 -0.17 0.72 5.90 0.01 -0.05 -4.20 113.70 113.93 1u8k s SER 7 Ca 0.39 0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.94 1u8k s SER 7 Cb -0.13 0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.45 1u8k s SER 7 CO 0.20 -0.13 1.05 -2.16 0.41 0.00 0.00 173.24 172.62 1u8k s PRO 8 N 0.88 2.21 0.32 12.44 0.04 -1.26 -0.20 135.00 149.43 1u8k s PRO 8 Ca -0.07 -0.11 0.17 0.00 0.04 0.00 0.00 61.00 61.03 1u8k s PRO 8 Cb -0.08 -2.11 0.36 0.00 0.04 0.00 0.00 34.50 32.70 1u8k s PRO 8 CO -0.05 -1.29 1.58 0.66 0.04 0.00 0.00 177.00 177.94 1u8k h SER 9 N -0.70 0.00 -3.74 6.66 4.64 -1.83 -3.42 113.55 115.16 1u8k h SER 9 Ca -0.45 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.62 1u8k h SER 9 Cb 1.31 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.12 1u8k h SER 9 CO 0.62 0.46 -0.73 -0.55 -0.87 0.00 0.00 176.83 175.77 1u8k s SER 10 N -6.45 0.10 -0.08 4.97 0.15 -1.26 -0.85 113.70 110.29 1u8k s SER 10 Ca 0.02 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.62 1u8k s SER 10 Cb 0.09 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1u8k s SER 10 CO 0.72 0.00 0.16 -0.22 1.20 0.00 0.00 173.24 175.10 1u8k s LEU 11 N 0.05 0.44 0.07 3.45 0.20 0.59 -4.93 118.68 118.54 1u8k s LEU 11 Ca -0.00 0.34 -0.05 0.00 0.69 0.00 0.00 54.13 55.11 1u8k s LEU 11 Cb -0.01 0.39 -0.05 0.00 -0.43 0.00 0.00 46.19 46.09 1u8k s LEU 11 CO -0.00 -0.18 0.31 -0.44 -0.29 0.00 0.00 176.35 175.75 1u8k s SER 12 N 1.53 6.49 0.28 3.68 0.01 -1.26 -1.20 113.70 123.22 1u8k s SER 12 Ca -0.06 0.55 -0.20 0.00 1.31 0.00 0.00 55.95 57.55 1u8k s SER 12 Cb -0.12 -2.08 0.06 0.00 0.21 0.00 0.00 66.02 64.09 1u8k s SER 12 CO -0.06 0.16 0.87 0.00 0.41 0.00 0.00 173.24 174.62 1u8k s ALA 13 N -1.47 -1.18 0.07 1.44 0.00 -0.10 -4.80 121.76 115.72 1u8k s ALA 13 Ca 0.34 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1u8k s ALA 13 Cb -0.13 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1u8k s ALA 13 CO 0.21 -1.02 -0.07 -1.12 0.00 0.00 0.00 175.76 173.76 1u8k s SER 14 N -3.12 0.94 0.29 0.00 0.01 -1.26 -0.29 113.70 110.27 1u8k s SER 14 Ca 0.16 -0.80 -0.28 0.00 1.31 0.00 0.00 55.95 56.33 1u8k s SER 14 Cb -0.04 0.08 -0.14 0.00 0.21 0.00 0.00 66.02 66.13 1u8k s SER 14 CO 0.08 -0.36 1.04 0.52 0.41 0.00 0.00 173.24 174.92 1u8k n VAL 15 N 0.64 1.93 0.00 3.43 0.31 -1.26 -0.92 118.33 122.46 1u8k n VAL 15 Ca -0.17 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1u8k n VAL 15 Cb 0.58 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1u8k n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u8k n GLY 16 N 1.24 3.18 3.74 2.92 0.00 0.15 -4.90 105.19 111.52 1u8k n GLY 16 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1u8k n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u8k s ASP 17 N -0.86 4.07 -0.20 1.61 1.11 -0.10 -4.19 116.67 118.11 1u8k s ASP 17 Ca 0.00 1.89 -0.05 0.00 0.18 0.00 0.00 52.55 54.58 1u8k s ASP 17 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 1u8k s ASP 17 CO 0.00 -2.33 -0.02 -0.60 1.18 0.00 0.00 175.17 173.41 1u8k s ARG 18 N -4.84 3.55 0.19 8.23 3.52 -1.24 0.11 118.95 128.46 1u8k s ARG 18 Ca 0.63 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.74 1u8k s ARG 18 Cb -0.19 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 1u8k s ARG 18 CO 0.57 -0.03 -0.14 0.96 -0.81 0.00 0.00 175.30 175.85 1u8k s ILE 19 N 1.08 1.62 0.02 4.11 -4.36 -0.25 -4.98 121.20 118.44 1u8k s ILE 19 Ca 0.02 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 1u8k s ILE 19 Cb -0.14 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.59 1u8k s ILE 19 CO 0.01 -0.59 -0.05 0.42 0.24 0.00 0.00 174.94 174.97 1u8k s THR 20 N -2.92 0.30 -0.02 8.37 -4.23 -1.26 -0.85 115.64 115.04 1u8k s THR 20 Ca 0.20 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 60.10 1u8k s THR 20 Cb -0.01 -0.36 -0.01 0.00 1.34 0.00 0.00 72.50 73.46 1u8k s THR 20 CO 0.05 -0.24 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.07 1u8k s ILE 21 N -0.90 1.51 0.19 2.99 1.01 0.91 -4.75 121.20 122.18 1u8k s ILE 21 Ca -0.07 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 59.86 1u8k s ILE 21 Cb -0.07 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1u8k s ILE 21 CO -0.00 0.43 -0.14 0.42 0.00 0.00 0.00 174.94 175.65 1u8k s THR 22 N -0.42 2.90 -0.04 2.92 -4.23 0.72 -0.46 115.64 117.04 1u8k s THR 22 Ca 0.07 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1u8k s THR 22 Cb -0.08 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.35 1u8k s THR 22 CO -0.01 -0.14 0.00 0.00 -0.54 0.00 0.00 174.62 173.94 1u8k s ARG 24 N 1.28 2.38 0.13 0.00 3.52 0.00 -0.48 118.95 125.77 1u8k s ARG 24 Ca -0.06 -0.88 0.05 0.00 -0.13 0.00 0.00 55.73 54.71 1u8k s ARG 24 Cb -0.13 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1u8k s ARG 24 CO -0.02 0.49 0.05 0.00 -0.81 0.00 0.00 175.30 175.00 1u8k s ALA 25 N -0.42 3.38 -0.13 6.12 0.00 -0.51 -0.29 121.76 129.91 1u8k s ALA 25 Ca 0.04 -1.18 0.29 0.00 0.00 0.00 0.00 51.96 51.11 1u8k s ALA 25 Cb -0.12 -1.23 1.25 0.00 0.00 0.00 0.00 23.12 23.02 1u8k s ALA 25 CO 0.01 0.61 1.88 0.66 0.00 0.00 0.00 175.76 178.92 1u8k h SER 26 N 2.98 0.00 -5.06 0.00 4.64 -1.54 -3.45 113.55 111.12 1u8k h SER 26 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 1u8k h SER 26 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1u8k h SER 26 CO 0.61 0.00 -0.10 -1.10 -0.87 0.00 0.00 176.83 175.37 1u8k s GLN 27 N -3.53 1.00 0.23 4.77 -0.21 -1.26 -5.14 119.66 115.52 1u8k s GLN 27 Ca 0.02 -0.58 -0.32 0.00 0.02 0.00 0.00 55.36 54.51 1u8k s GLN 27 Cb 0.09 0.44 -0.12 0.00 1.00 0.00 0.00 33.01 34.42 1u8k s GLN 27 CO 0.46 -0.37 1.66 0.41 -2.12 0.00 0.00 175.29 175.33 1u8k n GLY 28 N 0.08 1.42 0.24 3.09 0.00 -1.26 -4.67 105.19 104.09 1u8k n GLY 28 Ca -0.17 0.57 0.09 0.00 0.00 0.00 0.00 46.02 46.51 1u8k n GLY 28 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u8k n VAL 29 N 3.27 1.99 0.00 1.61 0.24 -0.14 -4.96 118.33 120.34 1u8k n VAL 29 Ca 0.14 -2.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.06 1u8k n VAL 29 Cb 0.35 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 1u8k n VAL 29 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1u8k n THR 30 N -1.30 0.00 -0.09 3.34 -2.24 -1.26 -1.48 114.28 111.25 1u8k n THR 30 Ca 0.17 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.01 1u8k n THR 30 Cb 0.68 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 69.06 1u8k n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1u8k n SER 31 N 4.79 2.85 -3.54 3.42 3.41 -1.26 -1.22 113.62 122.07 1u8k n SER 31 Ca 0.00 -1.93 -0.39 0.00 -0.26 0.00 0.00 58.87 56.29 1u8k n SER 31 Cb 0.00 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 1u8k n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8k n ALA 32 N 0.61 5.33 -3.30 7.33 0.00 -0.55 -2.03 120.51 127.89 1u8k n ALA 32 Ca 0.12 -3.40 -0.16 0.00 0.00 0.00 0.00 53.44 49.99 1u8k n ALA 32 Cb 0.42 -3.45 -0.15 0.00 0.00 0.00 0.00 19.45 16.26 1u8k n ALA 32 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u8k s LEU 33 N 1.22 1.56 0.11 0.00 0.20 -1.26 -0.43 118.68 120.08 1u8k s LEU 33 Ca 0.53 -0.05 0.10 0.00 0.69 0.00 0.00 54.13 55.40 1u8k s LEU 33 Cb 0.14 -0.22 -0.04 0.00 -0.43 0.00 0.00 46.19 45.64 1u8k s LEU 33 CO -0.03 -0.03 -0.26 0.00 -0.29 0.00 0.00 176.35 175.74 1u8k s ALA 34 N 0.52 2.25 -0.07 5.97 0.00 0.61 0.06 121.76 131.10 1u8k s ALA 34 Ca -0.05 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.57 1u8k s ALA 34 Cb -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1u8k s ALA 34 CO -0.01 0.51 -0.19 -1.58 0.00 0.00 0.00 175.76 174.49 1u8k s TRP 35 N -1.02 2.59 0.12 0.00 0.52 0.02 -0.13 118.94 121.04 1u8k s TRP 35 Ca 0.12 -0.49 0.08 0.00 0.02 0.00 0.00 56.10 55.83 1u8k s TRP 35 Cb -0.10 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1u8k s TRP 35 CO 0.05 -0.07 -0.19 0.71 0.02 0.00 0.00 176.95 177.48 1u8k s TYR 36 N -0.30 1.71 -0.12 -1.98 1.51 0.96 -0.99 117.35 118.14 1u8k s TYR 36 Ca 0.01 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1u8k s TYR 36 Cb -0.13 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 1u8k s TYR 36 CO 0.03 0.23 -0.13 0.50 -1.11 0.00 0.00 175.55 175.06 1u8k s ARG 37 N -2.26 3.28 -0.22 -0.62 3.52 -0.04 -1.10 118.95 121.51 1u8k s ARG 37 Ca 0.09 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 1u8k s ARG 37 Cb -0.08 -2.60 0.05 0.00 -1.56 0.00 0.00 34.95 30.75 1u8k s ARG 37 CO 0.05 0.27 -0.12 -1.14 -0.81 0.00 0.00 175.30 173.54 1u8k s GLN 38 N 0.21 2.31 0.40 5.12 0.74 0.14 0.06 119.66 128.63 1u8k s GLN 38 Ca -0.08 -1.08 -0.14 0.00 0.05 0.00 0.00 55.36 54.11 1u8k s GLN 38 Cb -0.15 -2.67 -0.08 0.00 1.10 0.00 0.00 33.01 31.20 1u8k s GLN 38 CO 0.05 -0.45 0.81 0.15 -0.55 0.00 0.00 175.29 175.29 1u8k s LYS 39 N 1.24 3.92 0.17 1.67 1.02 -1.26 -1.80 119.74 124.70 1u8k s LYS 39 Ca -0.04 0.67 -0.33 0.00 0.02 0.00 0.00 55.97 56.29 1u8k s LYS 39 Cb -0.17 -2.35 -0.15 0.00 -0.52 0.00 0.00 37.83 34.64 1u8k s LYS 39 CO -0.08 -0.00 1.33 -2.30 -0.92 0.00 0.00 175.35 173.38 1u8k n PRO 40 N -0.96 1.57 -1.16 -1.68 -0.02 -1.26 -1.44 135.00 130.05 1u8k n PRO 40 Ca 0.04 0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1u8k n PRO 40 Cb 0.54 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 1u8k n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u8k n GLY 41 N 2.38 0.71 3.47 -1.23 0.00 -1.26 -5.00 105.19 104.26 1u8k n GLY 41 Ca 0.15 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1u8k n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u8k s SER 42 N -2.39 2.68 0.55 1.61 0.01 -0.52 -5.14 113.70 110.49 1u8k s SER 42 Ca 0.00 -1.35 -0.06 0.00 1.31 0.00 0.00 55.95 55.85 1u8k s SER 42 Cb 0.00 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 1u8k s SER 42 CO 0.00 -0.54 0.86 -2.16 0.41 0.00 0.00 173.24 171.81 1u8k s PRO 43 N -3.84 3.22 0.73 12.44 0.04 -1.26 -4.62 135.00 141.70 1u8k s PRO 43 Ca 0.35 0.13 -0.16 0.00 0.04 0.00 0.00 61.00 61.36 1u8k s PRO 43 Cb 0.08 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1u8k s PRO 43 CO 0.15 -0.49 1.18 -2.30 0.04 0.00 0.00 177.00 175.58 1u8k n PRO 44 N -2.46 0.60 -4.50 0.56 -0.02 -1.26 -4.54 135.00 123.38 1u8k n PRO 44 Ca 0.03 0.27 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 1u8k n PRO 44 Cb 0.56 -2.42 -0.17 0.00 -0.02 0.00 0.00 33.50 31.46 1u8k n PRO 44 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1u8k s GLN 45 N -3.64 1.69 0.23 -0.52 0.74 0.11 -4.92 119.66 113.34 1u8k s GLN 45 Ca 0.77 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 1u8k s GLN 45 Cb -0.34 -1.44 -0.10 0.00 1.10 0.00 0.00 33.01 32.23 1u8k s GLN 45 CO 0.47 -0.01 1.50 -1.17 -0.55 0.00 0.00 175.29 175.52 1u8k s LEU 46 N 0.80 4.38 -0.01 3.68 2.96 -1.26 -0.86 118.68 128.37 1u8k s LEU 46 Ca -0.12 2.69 -0.06 0.00 -0.22 0.00 0.00 54.13 56.42 1u8k s LEU 46 Cb -0.15 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 1u8k s LEU 46 CO 0.02 -0.77 -0.12 0.18 -1.32 0.00 0.00 176.35 174.34 1u8k n LEU 47 N 2.84 1.30 -4.10 -0.68 4.77 -0.16 -4.86 117.00 116.10 1u8k n LEU 47 Ca 0.09 0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 56.02 1u8k n LEU 47 Cb 0.39 -0.45 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 1u8k n LEU 47 CO 0.61 -0.49 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.06 1u8k s ILE 48 N -2.29 1.29 0.21 -0.08 -1.09 -1.14 -1.44 121.20 116.66 1u8k s ILE 48 Ca -0.10 -0.63 0.10 0.00 -2.23 0.00 0.00 60.65 57.78 1u8k s ILE 48 Cb 0.02 -1.12 -0.05 0.00 -1.58 0.00 0.00 42.46 39.74 1u8k s ILE 48 CO 0.15 0.38 -0.18 -0.72 -1.23 0.00 0.00 174.94 173.33 1u8k s TYR 49 N 0.11 1.98 -1.46 3.97 -0.85 0.12 -0.80 117.35 120.42 1u8k s TYR 49 Ca -0.04 -0.45 -0.09 0.00 -0.52 0.00 0.00 57.07 55.97 1u8k s TYR 49 Cb -0.11 -0.93 0.04 0.00 0.38 0.00 0.00 41.96 41.34 1u8k s TYR 49 CO 0.02 0.47 0.83 -3.47 -1.52 0.00 0.00 175.55 171.87 1u8k n ASP 50 N -0.14 -5.36 0.00 -0.18 2.03 -1.00 -0.91 116.55 110.99 1u8k n ASP 50 Ca -0.09 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.70 1u8k n ASP 50 Cb 0.59 -4.30 0.00 0.00 -0.72 0.00 0.00 41.12 36.69 1u8k n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u8k n ALA 51 N -4.22 0.00 -0.67 -1.67 0.00 0.11 -4.10 120.51 109.96 1u8k n ALA 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1u8k n ALA 51 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1u8k n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u8k n SER 52 N 1.01 0.05 -4.73 0.00 3.41 -1.18 -2.94 113.62 109.24 1u8k n SER 52 Ca 0.00 -0.73 -0.41 0.00 -0.26 0.00 0.00 58.87 57.47 1u8k n SER 52 Cb 0.00 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 1u8k n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1u8k s SER 53 N -0.02 7.46 -0.16 4.04 0.01 -0.08 -4.49 113.70 120.46 1u8k s SER 53 Ca 0.00 1.75 -0.24 0.00 1.31 0.00 0.00 55.95 58.76 1u8k s SER 53 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1u8k s SER 53 CO 0.00 -0.02 0.79 -0.22 0.41 0.00 0.00 173.24 174.19 1u8k s LEU 54 N -0.16 4.18 0.23 2.44 0.20 -1.26 -0.70 118.68 123.61 1u8k s LEU 54 Ca 0.45 1.12 -0.30 0.00 0.69 0.00 0.00 54.13 56.08 1u8k s LEU 54 Cb -0.23 -3.16 -0.10 0.00 -0.43 0.00 0.00 46.19 42.27 1u8k s LEU 54 CO 0.29 -0.35 1.39 -0.70 -0.29 0.00 0.00 176.35 176.69 1u8k s GLU 55 N 1.98 4.31 0.39 1.98 2.56 -0.52 -4.92 118.70 124.48 1u8k s GLU 55 Ca 0.37 2.21 -0.26 0.00 0.00 0.00 0.00 54.97 57.29 1u8k s GLU 55 Cb -0.17 -3.14 -0.11 0.00 2.00 0.00 0.00 34.13 32.72 1u8k s GLU 55 CO 0.13 -0.36 1.26 -1.13 -0.56 0.00 0.00 175.26 174.59 1u8k n SER 56 N 2.47 2.54 0.00 -1.70 3.41 -1.26 -1.30 113.62 117.77 1u8k n SER 56 Ca 0.07 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 1u8k n SER 56 Cb 0.41 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1u8k n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8k n GLY 57 N 0.82 2.15 3.75 5.00 0.00 -1.26 -5.02 105.19 110.62 1u8k n GLY 57 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1u8k n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8k s VAL 58 N -2.43 4.88 0.40 1.61 1.01 -0.42 -5.02 120.40 120.43 1u8k s VAL 58 Ca 0.00 1.42 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 1u8k s VAL 58 Cb 0.00 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 1u8k s VAL 58 CO 0.00 0.36 1.35 -0.81 0.00 0.00 0.00 175.10 176.00 1u8k n PRO 59 N 2.99 2.17 0.22 2.72 -0.04 -1.26 -4.89 135.00 136.91 1u8k n PRO 59 Ca -0.04 0.77 0.14 0.00 -0.04 0.00 0.00 63.50 64.33 1u8k n PRO 59 Cb 0.51 -2.47 0.77 0.00 -0.04 0.00 0.00 33.50 32.26 1u8k n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u8k h SER 60 N 2.38 0.00 0.03 3.54 4.64 -1.98 -2.53 113.55 119.63 1u8k h SER 60 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1u8k h SER 60 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1u8k h SER 60 CO 0.61 0.00 -0.00 0.08 -0.87 0.00 0.00 176.83 176.65 1u8k h ARG 61 N 0.00 0.00 -6.15 4.77 0.11 -1.95 -3.41 114.38 107.75 1u8k h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1u8k h ARG 61 Cb 0.08 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.12 1u8k h ARG 61 CO 0.00 0.00 -0.08 -0.06 0.10 0.00 0.00 179.97 179.93 1u8k s PHE 62 N -4.23 3.77 -0.09 4.08 0.40 -0.96 -1.16 117.98 119.79 1u8k s PHE 62 Ca -0.05 1.19 -0.21 0.00 -0.60 0.00 0.00 56.93 57.25 1u8k s PHE 62 Cb 0.13 -2.45 0.05 0.00 0.51 0.00 0.00 43.02 41.26 1u8k s PHE 62 CO 0.44 0.58 0.51 -1.54 0.70 0.00 0.00 175.22 175.91 1u8k s SER 63 N -1.00 -0.47 0.14 1.36 1.04 -0.64 -4.99 113.70 109.14 1u8k s SER 63 Ca 0.28 0.64 0.05 0.00 0.48 0.00 0.00 55.95 57.39 1u8k s SER 63 Cb -0.19 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1u8k s SER 63 CO 0.17 -0.41 -0.12 -0.83 0.98 0.00 0.00 173.24 173.04 1u8k s GLY 64 N -0.72 1.06 0.35 7.32 0.00 -1.26 -0.64 107.32 113.42 1u8k s GLY 64 Ca -0.08 -1.39 -0.09 0.00 0.00 0.00 0.00 44.72 43.15 1u8k s GLY 64 CO 0.05 -1.48 0.61 -1.35 0.00 0.00 0.00 173.10 170.93 1u8k s SER 65 N -2.85 0.42 0.00 1.64 1.04 -0.65 -4.16 113.70 109.15 1u8k s SER 65 Ca 0.13 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1u8k s SER 65 Cb -0.01 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1u8k s SER 65 CO 0.02 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.41 1u8k n GLY 66 N -0.53 1.56 3.71 7.32 0.00 -1.26 -1.53 105.19 114.46 1u8k n GLY 66 Ca -0.03 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.88 1u8k n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u8k s SER 67 N 0.00 -0.20 1.30 1.61 1.04 -0.93 -4.87 113.70 111.64 1u8k s SER 67 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1u8k s SER 67 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1u8k s SER 67 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1u8k n GLY 68 N -0.44 1.39 0.31 7.32 0.00 -0.36 -2.84 105.19 110.58 1u8k n GLY 68 Ca -0.07 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1u8k n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u8k n THR 69 N 0.00 0.71 -3.78 2.61 -2.24 -1.26 -0.96 114.28 109.36 1u8k n THR 69 Ca 0.00 -0.86 -0.22 0.00 -2.27 0.00 0.00 64.05 60.71 1u8k n THR 69 Cb 0.00 0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 68.73 1u8k n THR 69 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1u8k s GLU 70 N -0.85 0.47 0.04 -0.78 2.56 -1.13 -1.43 118.70 117.58 1u8k s GLU 70 Ca 0.11 0.15 0.02 0.00 0.00 0.00 0.00 54.97 55.25 1u8k s GLU 70 Cb 0.06 -0.85 -0.02 0.00 2.00 0.00 0.00 34.13 35.32 1u8k s GLU 70 CO 0.08 -0.29 -0.08 -0.06 -0.56 0.00 0.00 175.26 174.35 1u8k s PHE 71 N 1.91 0.66 0.04 5.30 0.40 0.36 -2.19 117.98 124.46 1u8k s PHE 71 Ca 0.03 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1u8k s PHE 71 Cb -0.12 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.99 1u8k s PHE 71 CO -0.04 -0.09 -0.10 0.95 0.70 0.00 0.00 175.22 176.64 1u8k s THR 72 N -1.41 0.77 -0.12 0.64 -4.23 -0.58 0.01 115.64 110.72 1u8k s THR 72 Ca -0.10 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1u8k s THR 72 Cb -0.10 -0.75 -0.00 0.00 1.34 0.00 0.00 72.50 72.99 1u8k s THR 72 CO 0.00 -0.17 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.49 1u8k s LEU 73 N -1.26 2.28 0.02 4.79 2.96 0.39 -1.64 118.68 126.23 1u8k s LEU 73 Ca -0.04 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1u8k s LEU 73 Cb -0.08 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1u8k s LEU 73 CO 0.01 0.14 -0.17 0.42 -1.32 0.00 0.00 176.35 175.43 1u8k s THR 74 N 0.47 1.33 -0.28 3.68 -4.23 0.19 -0.06 115.64 116.73 1u8k s THR 74 Ca -0.14 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1u8k s THR 74 Cb -0.17 -1.15 0.05 0.00 1.34 0.00 0.00 72.50 72.57 1u8k s THR 74 CO 0.06 0.22 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.68 1u8k s ILE 75 N -0.62 2.67 0.14 2.99 1.01 -0.03 -1.62 121.20 125.75 1u8k s ILE 75 Ca 0.05 -1.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.06 1u8k s ILE 75 Cb -0.07 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1u8k s ILE 75 CO 0.01 -0.07 1.78 0.77 0.00 0.00 0.00 174.94 177.42 1u8k h SER 76 N 7.91 0.38 -3.15 3.58 4.64 -1.41 -0.64 113.55 124.87 1u8k h SER 76 Ca -0.21 -0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.49 1u8k h SER 76 Cb 1.05 -0.10 -0.40 0.00 -0.31 0.00 0.00 62.40 62.65 1u8k h SER 76 CO 0.51 0.31 -0.76 -0.89 -0.87 0.00 0.00 176.83 175.13 1u8k s THR 77 N -6.06 0.85 0.13 2.95 2.01 -1.25 -3.63 115.64 110.65 1u8k s THR 77 Ca -0.13 -1.41 -0.33 0.00 0.31 0.00 0.00 61.69 60.12 1u8k s THR 77 Cb 0.10 -1.65 -0.13 0.00 0.01 0.00 0.00 72.50 70.83 1u8k s THR 77 CO 0.72 -0.69 1.69 -0.11 -0.69 0.00 0.00 174.62 175.54 1u8k n LEU 78 N 4.82 3.45 -4.72 4.42 7.94 0.30 -4.69 117.00 128.52 1u8k n LEU 78 Ca -0.02 1.05 -0.23 0.00 -1.11 0.00 0.00 56.01 55.70 1u8k n LEU 78 Cb 0.42 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.84 1u8k n LEU 78 CO 0.11 -0.10 -0.25 -0.13 -1.11 0.00 0.00 177.39 175.92 1u8k s ARG 79 N 1.71 2.49 0.40 1.96 1.81 -1.26 0.30 118.95 126.36 1u8k s ARG 79 Ca 0.81 -1.35 0.17 0.00 -1.72 0.00 0.00 55.73 53.63 1u8k s ARG 79 Cb -0.62 -2.28 1.05 0.00 -0.45 0.00 0.00 34.95 32.66 1u8k s ARG 79 CO 0.39 0.31 1.82 -1.00 -0.68 0.00 0.00 175.30 176.14 1u8k h PRO 80 N 1.68 0.43 0.00 3.54 0.13 -1.98 0.10 132.00 135.90 1u8k h PRO 80 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1u8k h PRO 80 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1u8k h PRO 80 CO 0.61 0.28 0.00 -0.85 -0.23 0.00 0.00 178.00 177.81 1u8k n GLU 81 N -4.56 0.71 0.00 0.86 0.00 -1.26 -3.06 120.64 113.33 1u8k n GLU 81 Ca 0.21 0.01 0.14 0.00 0.00 0.00 0.00 57.16 57.52 1u8k n GLU 81 Cb 0.74 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 31.19 1u8k n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1u8k n ASP 82 N -1.11 1.18 -4.53 -1.84 8.00 0.35 -4.60 116.55 114.00 1u8k n ASP 82 Ca 0.18 -1.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 1u8k n ASP 82 Cb 0.15 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1u8k n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1u8k s PHE 83 N -2.20 2.51 0.00 1.24 0.08 -1.17 -4.82 117.98 113.62 1u8k s PHE 83 Ca 0.33 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1u8k s PHE 83 Cb 0.20 -4.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.09 1u8k s PHE 83 CO 0.41 -1.90 0.00 0.00 -0.10 0.00 0.00 175.22 173.62 1u8k n ALA 84 N 8.66 0.00 -2.72 5.36 0.00 -1.06 -4.83 120.51 125.91 1u8k n ALA 84 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 1u8k n ALA 84 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 1u8k n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u8k s THR 85 N -2.89 3.58 -0.02 0.00 2.01 -0.74 -0.19 115.64 117.38 1u8k s THR 85 Ca 0.00 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.54 1u8k s THR 85 Cb 0.00 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1u8k s THR 85 CO 0.00 0.57 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.02 1u8k s TYR 86 N -0.39 2.63 0.05 4.92 1.51 0.45 0.24 117.35 126.76 1u8k s TYR 86 Ca 0.05 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.96 1u8k s TYR 86 Cb -0.12 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1u8k s TYR 86 CO 0.02 0.19 -0.15 0.71 -1.11 0.00 0.00 175.55 175.21 1u8k s TYR 87 N -0.78 1.33 0.25 2.71 1.51 -0.26 0.12 117.35 122.23 1u8k s TYR 87 Ca 0.12 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 55.87 1u8k s TYR 87 Cb -0.11 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1u8k s TYR 87 CO 0.02 0.06 0.16 0.00 -1.11 0.00 0.00 175.55 174.68 1u8k s GLN 89 N -3.76 0.09 -0.13 0.00 0.74 0.81 -0.97 119.66 116.45 1u8k s GLN 89 Ca 0.32 0.38 -0.14 0.00 0.05 0.00 0.00 55.36 55.98 1u8k s GLN 89 Cb -0.08 -0.19 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 1u8k s GLN 89 CO 0.24 -0.17 0.33 -1.14 -0.55 0.00 0.00 175.29 174.00 1u8k s GLN 90 N 1.24 4.17 -0.12 1.67 -0.44 0.12 -0.29 119.66 126.01 1u8k s GLN 90 Ca -0.09 0.19 0.14 0.00 -2.50 0.00 0.00 55.36 53.11 1u8k s GLN 90 Cb -0.12 -3.38 0.30 0.00 -1.64 0.00 0.00 33.01 28.17 1u8k s GLN 90 CO -0.06 0.33 1.15 1.28 0.50 0.00 0.00 175.29 178.49 1u8k n LEU 91 N 3.22 1.92 0.02 3.68 4.32 0.43 -2.32 117.00 128.27 1u8k n LEU 91 Ca -0.12 -2.87 -0.13 0.00 -0.02 0.00 0.00 56.01 52.88 1u8k n LEU 91 Cb 0.52 -0.34 -0.14 0.00 -1.62 0.00 0.00 43.42 41.84 1u8k n LEU 91 CO 0.39 0.82 -0.41 -0.74 -1.22 0.00 0.00 177.39 176.23 1u8k h HIS 92 N 0.41 0.21 -3.93 -1.77 2.76 -1.83 -3.48 115.15 107.53 1u8k h HIS 92 Ca -0.03 -0.16 -0.56 0.00 -2.20 0.00 0.00 60.37 57.43 1u8k h HIS 92 Cb 1.17 -0.01 -0.22 0.00 1.55 0.00 0.00 27.41 29.90 1u8k h HIS 92 CO 0.26 1.23 -0.83 -0.06 -1.30 0.00 0.00 177.93 177.24 1u8k s PHE 93 N -2.61 1.79 -0.06 5.26 0.40 -1.26 -5.12 117.98 116.37 1u8k s PHE 93 Ca -0.08 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1u8k s PHE 93 Cb 0.08 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 1u8k s PHE 93 CO 0.83 0.20 0.29 0.71 0.70 0.00 0.00 175.22 177.95 1u8k s TYR 94 N -1.16 3.67 0.43 0.36 4.12 -1.26 -2.85 117.35 120.66 1u8k s TYR 94 Ca 0.06 0.78 -0.22 0.00 0.02 0.00 0.00 57.07 57.72 1u8k s TYR 94 Cb -0.10 -2.14 -0.10 0.00 -1.52 0.00 0.00 41.96 38.10 1u8k s TYR 94 CO 0.04 0.67 0.99 -1.25 0.02 0.00 0.00 175.55 176.02 1u8k s PRO 95 N -1.01 4.13 0.52 -1.71 0.04 -1.26 -4.93 135.00 130.78 1u8k s PRO 95 Ca 0.20 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.29 1u8k s PRO 95 Cb -0.15 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1u8k s PRO 95 CO 0.09 -0.13 1.23 -1.01 0.04 0.00 0.00 177.00 177.22 1u8k s HIS 96 N -2.00 2.57 0.09 0.56 3.76 -1.13 -3.03 115.29 116.12 1u8k s HIS 96 Ca 0.62 1.49 0.04 0.00 -0.15 0.00 0.00 55.06 57.05 1u8k s HIS 96 Cb -0.14 -3.52 -0.03 0.00 1.11 0.00 0.00 32.58 30.00 1u8k s HIS 96 CO 0.18 -2.08 -0.11 0.95 -0.85 0.00 0.00 174.74 172.83 1u8k s THR 97 N -1.50 0.97 0.18 1.30 -4.23 -0.98 -4.15 115.64 107.22 1u8k s THR 97 Ca 0.70 -1.56 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1u8k s THR 97 Cb -0.32 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 1u8k s THR 97 CO 0.37 -0.49 0.04 -0.36 -0.54 0.00 0.00 174.62 173.65 1u8k s PHE 98 N -2.18 2.92 0.93 3.99 0.40 -1.26 -0.70 117.98 122.08 1u8k s PHE 98 Ca 0.04 -0.11 -0.15 0.00 -0.60 0.00 0.00 56.93 56.11 1u8k s PHE 98 Cb -0.05 -1.40 0.17 0.00 0.51 0.00 0.00 43.02 42.25 1u8k s PHE 98 CO 0.01 0.53 1.28 0.20 0.70 0.00 0.00 175.22 177.93 1u8k s GLY 99 N -3.07 1.72 0.00 4.36 0.00 -0.15 -4.59 107.32 105.60 1u8k s GLY 99 Ca 0.29 -1.04 0.22 0.00 0.00 0.00 0.00 44.72 44.19 1u8k s GLY 99 CO 0.20 -0.34 1.72 0.61 0.00 0.00 0.00 173.10 175.29 1u8k n GLY 100 N -3.55 -1.15 0.00 0.20 0.00 -1.26 -4.74 105.19 94.69 1u8k n GLY 100 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1u8k n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8k n GLY 101 N 0.71 0.61 2.92 -0.02 0.00 -1.26 -5.00 105.19 103.15 1u8k n GLY 101 Ca 0.08 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1u8k n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u8k s THR 102 N -2.68 1.25 -0.09 2.61 2.01 0.12 -4.64 115.64 114.22 1u8k s THR 102 Ca 0.00 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 1u8k s THR 102 Cb 0.00 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1u8k s THR 102 CO 0.00 0.17 0.75 -0.60 -0.69 0.00 0.00 174.62 174.26 1u8k s ARG 103 N 1.57 4.40 -0.26 4.92 3.52 -0.03 -0.41 118.95 132.67 1u8k s ARG 103 Ca 0.01 0.95 -0.01 0.00 -0.13 0.00 0.00 55.73 56.55 1u8k s ARG 103 Cb -0.15 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 29.79 1u8k s ARG 103 CO -0.08 -0.06 -0.06 0.08 -0.81 0.00 0.00 175.30 174.37 1u8k s VAL 104 N 1.21 2.78 0.42 7.11 1.01 0.73 -0.30 120.40 133.36 1u8k s VAL 104 Ca 0.39 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1u8k s VAL 104 Cb -0.18 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1u8k s VAL 104 CO 0.17 0.13 0.05 1.51 0.00 0.00 0.00 175.10 176.97 1u8k s ASP 105 N 1.28 3.29 -0.06 3.32 3.84 -0.34 -2.57 116.67 125.44 1u8k s ASP 105 Ca -0.02 -1.54 -0.30 0.00 -0.00 0.00 0.00 52.55 50.70 1u8k s ASP 105 Cb -0.17 0.20 -0.04 0.00 -1.38 0.00 0.00 42.92 41.52 1u8k s ASP 105 CO -0.04 -0.74 1.37 -0.69 -0.00 0.00 0.00 175.17 175.07 1u8k s VAL 106 N -3.04 3.92 0.47 2.11 1.01 -1.26 -0.93 120.40 122.68 1u8k s VAL 106 Ca 0.24 1.23 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 1u8k s VAL 106 Cb 0.05 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 1u8k s VAL 106 CO 0.12 -0.04 1.06 -0.60 0.00 0.00 0.00 175.10 175.64 1u8k s ARG 107 N 2.85 3.84 0.26 2.72 3.52 0.61 -4.72 118.95 128.02 1u8k s ARG 107 Ca 0.62 1.47 -0.21 0.00 -0.13 0.00 0.00 55.73 57.47 1u8k s ARG 107 Cb -0.28 -2.23 0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1u8k s ARG 107 CO 0.23 -0.41 0.82 -0.98 -0.81 0.00 0.00 175.30 174.16 1u8k s ARG 108 N -3.00 1.66 0.46 5.12 1.70 -1.26 -4.91 118.95 118.73 1u8k s ARG 108 Ca 0.65 -0.96 -0.23 0.00 -0.47 0.00 0.00 55.73 54.72 1u8k s ARG 108 Cb -0.20 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 1u8k s ARG 108 CO 0.24 -0.77 1.20 0.95 -1.08 0.00 0.00 175.30 175.85 1u8k s THR 109 N -3.33 2.92 0.56 4.99 -4.23 -1.26 -4.94 115.64 110.35 1u8k s THR 109 Ca 0.13 0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 61.15 1u8k s THR 109 Cb -0.04 -3.36 -0.07 0.00 1.34 0.00 0.00 72.50 70.37 1u8k s THR 109 CO 0.06 0.00 0.87 0.52 -0.54 0.00 0.00 174.62 175.54 1u8k n VAL 110 N -0.49 3.11 -3.57 2.29 0.31 -1.26 -4.84 118.33 113.89 1u8k n VAL 110 Ca 0.07 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.77 1u8k n VAL 110 Cb 0.47 -1.04 -0.12 0.00 -0.91 0.00 0.00 33.84 32.25 1u8k n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u8k s ALA 111 N -1.52 -0.65 0.63 3.52 0.00 0.57 -4.93 121.76 119.38 1u8k s ALA 111 Ca 0.72 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 53.34 1u8k s ALA 111 Cb -0.45 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 1u8k s ALA 111 CO 0.51 -0.90 1.16 0.00 0.00 0.00 0.00 175.76 176.52 1u8k s ALA 112 N 2.44 2.48 0.32 0.00 0.00 -1.26 -0.89 121.76 124.86 1u8k s ALA 112 Ca 0.04 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 1u8k s ALA 112 Cb -0.13 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 1u8k s ALA 112 CO -0.11 -1.23 0.78 -1.25 0.00 0.00 0.00 175.76 173.95 1u8k s PRO 113 N -3.67 4.11 -0.12 0.00 0.04 -1.26 -4.56 135.00 129.53 1u8k s PRO 113 Ca 0.72 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 1u8k s PRO 113 Cb -0.25 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1u8k s PRO 113 CO 0.36 0.18 0.71 -1.12 0.04 0.00 0.00 177.00 177.17 1u8k s SER 114 N -2.11 6.90 -0.11 6.66 0.01 -0.81 -4.82 113.70 119.42 1u8k s SER 114 Ca 0.53 1.09 -0.01 0.00 1.31 0.00 0.00 55.95 58.87 1u8k s SER 114 Cb -0.12 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1u8k s SER 114 CO 0.18 -0.22 -0.08 -0.69 0.41 0.00 0.00 173.24 172.84 1u8k s VAL 115 N 1.38 3.58 0.03 3.43 1.01 -1.26 -0.59 120.40 127.97 1u8k s VAL 115 Ca 0.35 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1u8k s VAL 115 Cb -0.17 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1u8k s VAL 115 CO 0.15 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.35 1u8k s PHE 116 N -0.15 0.73 -0.04 5.22 0.40 -0.41 -4.99 117.98 118.74 1u8k s PHE 116 Ca 0.01 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1u8k s PHE 116 Cb -0.13 -0.45 -0.01 0.00 0.51 0.00 0.00 43.02 42.95 1u8k s PHE 116 CO 0.03 -0.03 -0.19 -1.50 0.70 0.00 0.00 175.22 174.23 1u8k s ILE 117 N -0.82 1.56 -0.18 0.64 2.07 -1.26 -0.56 121.20 122.65 1u8k s ILE 117 Ca -0.03 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 1u8k s ILE 117 Cb -0.07 -1.33 0.02 0.00 0.13 0.00 0.00 42.46 41.21 1u8k s ILE 117 CO 0.00 0.44 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.92 1u8k s PHE 118 N -0.04 2.78 0.80 3.50 0.08 0.66 -5.00 117.98 120.76 1u8k s PHE 118 Ca -0.03 -1.63 -0.11 0.00 0.12 0.00 0.00 56.93 55.28 1u8k s PHE 118 Cb -0.12 -1.92 0.07 0.00 -0.57 0.00 0.00 43.02 40.48 1u8k s PHE 118 CO 0.02 -0.80 1.09 -1.25 -0.10 0.00 0.00 175.22 174.18 1u8k s PRO 119 N 1.28 2.06 0.55 0.24 0.04 -1.26 -2.18 135.00 135.73 1u8k s PRO 119 Ca 0.05 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 61.76 1u8k s PRO 119 Cb -0.13 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1u8k s PRO 119 CO -0.12 -1.69 1.12 -1.25 0.04 0.00 0.00 177.00 175.09 1u8k s PRO 120 N -5.02 3.35 0.46 0.56 0.04 -1.18 -4.85 135.00 128.36 1u8k s PRO 120 Ca 0.61 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 63.03 1u8k s PRO 120 Cb -0.16 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 1u8k s PRO 120 CO 0.55 -0.85 1.02 -1.54 0.04 0.00 0.00 177.00 176.22 1u8k s SER 121 N -1.83 6.52 0.55 6.66 1.04 -1.26 -4.91 113.70 120.47 1u8k s SER 121 Ca 0.72 1.88 0.27 0.00 0.48 0.00 0.00 55.95 59.30 1u8k s SER 121 Cb -0.23 -2.56 1.60 0.00 0.10 0.00 0.00 66.02 64.93 1u8k s SER 121 CO 0.27 -0.66 2.17 0.44 0.98 0.00 0.00 173.24 176.45 1u8k h ASP 122 N 1.73 0.00 -0.17 7.02 3.45 -1.99 -0.12 116.42 126.34 1u8k h ASP 122 Ca -0.49 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.96 1u8k h ASP 122 Cb 1.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1u8k h ASP 122 CO 0.60 0.05 0.09 0.03 -1.57 0.00 0.00 179.24 178.44 1u8k h ARG 123 N 0.00 0.24 -0.41 3.56 -0.00 -1.99 -1.76 114.38 114.02 1u8k h ARG 123 Ca -0.00 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.36 1u8k h ARG 123 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.04 1u8k h ARG 123 CO 0.01 0.25 -0.08 0.37 0.00 0.00 0.00 179.97 180.52 1u8k h GLN 124 N 0.16 0.77 -0.97 0.04 4.15 -1.38 -3.05 115.11 114.83 1u8k h GLN 124 Ca 0.06 -0.29 0.13 0.00 0.77 0.00 0.00 58.65 59.32 1u8k h GLN 124 Cb 0.09 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.64 1u8k h GLN 124 CO -0.01 0.89 0.60 -0.07 -1.93 0.00 0.00 178.83 178.31 1u8k h LEU 125 N 0.59 0.85 -2.93 -2.39 3.38 -1.03 0.23 115.31 114.01 1u8k h LEU 125 Ca 0.11 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1u8k h LEU 125 Cb 0.60 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1u8k h LEU 125 CO 0.04 0.43 -0.00 0.11 0.09 0.00 0.00 178.44 179.11 1u8k h LYS 126 N 0.92 0.00 0.00 1.13 1.57 -1.20 0.80 116.57 119.79 1u8k h LYS 126 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1u8k h LYS 126 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1u8k h LYS 126 CO -0.29 0.00 -0.33 0.43 -0.57 0.00 0.00 179.45 178.69 1u8k n SER 127 N -3.18 0.73 0.00 0.86 7.64 0.80 -4.95 113.62 115.52 1u8k n SER 127 Ca -0.03 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1u8k n SER 127 Cb 0.07 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1u8k n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u8k n GLY 128 N 1.33 0.74 3.16 0.23 0.00 0.28 -5.06 105.19 105.87 1u8k n GLY 128 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1u8k n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u8k s THR 129 N -2.00 1.19 -0.17 2.61 2.01 -1.24 -1.65 115.64 116.39 1u8k s THR 129 Ca 0.00 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.95 1u8k s THR 129 Cb 0.00 -1.07 0.04 0.00 0.01 0.00 0.00 72.50 71.47 1u8k s THR 129 CO 0.00 0.01 -0.09 0.00 -0.69 0.00 0.00 174.62 173.85 1u8k s ALA 130 N -0.87 1.74 -0.17 7.40 0.00 0.68 -3.48 121.76 127.05 1u8k s ALA 130 Ca 0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1u8k s ALA 130 Cb -0.08 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1u8k s ALA 130 CO 0.01 -0.67 -0.01 -1.12 0.00 0.00 0.00 175.76 173.98 1u8k s SER 131 N 1.52 4.95 -0.18 0.00 0.01 -1.26 -0.85 113.70 117.89 1u8k s SER 131 Ca 0.01 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1u8k s SER 131 Cb -0.15 -1.83 -0.00 0.00 0.21 0.00 0.00 66.02 64.25 1u8k s SER 131 CO -0.09 0.14 -0.11 -0.69 0.41 0.00 0.00 173.24 172.90 1u8k s VAL 132 N 0.54 2.91 -0.03 3.43 1.01 0.23 -3.11 120.40 125.39 1u8k s VAL 132 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1u8k s VAL 132 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1u8k s VAL 132 CO 0.02 0.48 -0.11 0.68 0.00 0.00 0.00 175.10 176.18 1u8k s VAL 133 N 1.12 3.37 -0.14 2.92 -7.23 -0.92 0.63 120.40 120.15 1u8k s VAL 133 Ca 0.01 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1u8k s VAL 133 Cb -0.14 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.42 1u8k s VAL 133 CO -0.03 0.51 -0.21 0.00 -0.31 0.00 0.00 175.10 175.06 1u8k s LEU 135 N 0.92 3.09 -0.31 0.00 2.96 0.27 -0.83 118.68 124.78 1u8k s LEU 135 Ca -0.05 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1u8k s LEU 135 Cb -0.15 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 44.87 1u8k s LEU 135 CO -0.04 0.18 0.03 -0.76 -1.32 0.00 0.00 176.35 174.45 1u8k s LEU 136 N 0.28 4.08 -0.13 -0.68 1.02 0.70 -1.29 118.68 122.65 1u8k s LEU 136 Ca -0.05 -1.34 -0.06 0.00 0.02 0.00 0.00 54.13 52.70 1u8k s LEU 136 Cb -0.14 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 1u8k s LEU 136 CO 0.04 -0.29 0.11 0.21 0.02 0.00 0.00 176.35 176.43 1u8k s ASN 137 N 1.32 6.08 -0.68 2.29 3.84 0.24 0.09 114.94 128.12 1u8k s ASN 137 Ca -0.03 0.34 -0.16 0.00 0.21 0.00 0.00 52.86 53.22 1u8k s ASN 137 Cb -0.20 -1.95 0.02 0.00 -0.55 0.00 0.00 41.25 38.57 1u8k s ASN 137 CO -0.01 0.35 0.63 0.59 -2.79 0.00 0.00 177.10 175.87 1u8k n ASN 138 N 2.35 -5.08 -4.54 -4.21 3.02 -0.89 -1.92 115.26 103.99 1u8k n ASN 138 Ca -0.19 -0.65 -0.25 0.00 -0.03 0.00 0.00 54.58 53.46 1u8k n ASN 138 Cb 0.54 -1.63 -0.11 0.00 -0.61 0.00 0.00 39.78 37.98 1u8k n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1u8k s PHE 139 N -2.38 2.29 -0.28 3.10 -0.12 0.11 -4.57 117.98 116.13 1u8k s PHE 139 Ca 0.16 -0.73 -0.23 0.00 -0.05 0.00 0.00 56.93 56.07 1u8k s PHE 139 Cb -0.02 -1.52 0.12 0.00 -0.63 0.00 0.00 43.02 40.98 1u8k s PHE 139 CO 0.89 0.32 1.01 -0.47 -0.05 0.00 0.00 175.22 176.92 1u8k s TYR 140 N -2.90 -0.52 1.21 3.49 5.04 -0.07 -0.07 117.35 123.53 1u8k s TYR 140 Ca 0.35 1.20 -0.19 0.00 -2.44 0.00 0.00 57.07 55.98 1u8k s TYR 140 Cb 0.08 0.37 0.29 0.00 0.35 0.00 0.00 41.96 43.05 1u8k s TYR 140 CO 0.16 -0.25 1.10 -1.25 -1.34 0.00 0.00 175.55 173.97 1u8k s PRO 141 N 0.48 -1.28 0.35 4.97 0.04 -1.26 -0.31 135.00 137.99 1u8k s PRO 141 Ca 0.00 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.02 1u8k s PRO 141 Cb -0.05 -1.59 0.63 0.00 0.04 0.00 0.00 34.50 33.54 1u8k s PRO 141 CO -0.08 -3.75 2.01 -0.09 0.04 0.00 0.00 177.00 175.12 1u8k h ARG 142 N -2.61 0.83 -6.35 4.56 2.43 -1.96 -3.43 114.38 107.85 1u8k h ARG 142 Ca -0.45 -0.05 -0.54 0.00 -0.81 0.00 0.00 59.98 58.13 1u8k h ARG 142 Cb 1.30 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1u8k h ARG 142 CO 0.34 0.55 1.04 -1.83 -1.51 0.00 0.00 179.97 178.56 1u8k s GLU 143 N -5.72 4.20 -0.03 0.20 1.03 -1.26 -4.97 118.70 112.15 1u8k s GLU 143 Ca -0.10 2.24 -0.14 0.00 0.03 0.00 0.00 54.97 57.01 1u8k s GLU 143 Cb 0.18 -3.81 0.02 0.00 -0.80 0.00 0.00 34.13 29.72 1u8k s GLU 143 CO 0.76 -0.78 0.29 0.00 -1.33 0.00 0.00 175.26 174.21 1u8k s ALA 144 N 3.37 -0.74 -0.08 -0.84 0.00 -1.26 -4.57 121.76 117.65 1u8k s ALA 144 Ca 0.73 0.36 0.05 0.00 0.00 0.00 0.00 51.96 53.10 1u8k s ALA 144 Cb -0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1u8k s ALA 144 CO 0.31 -0.24 -0.23 0.21 0.00 0.00 0.00 175.76 175.81 1u8k s LYS 145 N -1.12 2.76 -0.13 0.00 2.20 0.09 -4.98 119.74 118.56 1u8k s LYS 145 Ca -0.12 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.65 1u8k s LYS 145 Cb -0.05 -2.26 0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1u8k s LYS 145 CO 0.03 0.33 -0.22 0.08 -0.36 0.00 0.00 175.35 175.21 1u8k s VAL 146 N -0.02 2.01 -0.07 4.02 1.01 -1.26 -1.01 120.40 125.09 1u8k s VAL 146 Ca -0.07 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1u8k s VAL 146 Cb -0.15 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1u8k s VAL 146 CO 0.05 0.54 -0.23 -1.58 0.00 0.00 0.00 175.10 173.89 1u8k s GLN 147 N 0.75 2.52 -0.11 2.72 2.00 0.34 -4.97 119.66 122.91 1u8k s GLN 147 Ca -0.09 -0.82 -0.06 0.00 -2.00 0.00 0.00 55.36 52.39 1u8k s GLN 147 Cb -0.16 -2.05 -0.04 0.00 0.80 0.00 0.00 33.01 31.56 1u8k s GLN 147 CO -0.00 0.28 0.13 -1.58 -0.50 0.00 0.00 175.29 173.61 1u8k s TRP 148 N 0.07 3.55 -0.01 1.67 0.52 -1.26 0.31 118.94 123.79 1u8k s TRP 148 Ca -0.09 0.48 0.01 0.00 0.02 0.00 0.00 56.10 56.52 1u8k s TRP 148 Cb -0.15 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 1u8k s TRP 148 CO 0.05 0.70 -0.04 0.15 0.02 0.00 0.00 176.95 177.84 1u8k s LYS 149 N -1.11 0.42 -0.26 4.98 1.02 -0.28 -0.81 119.74 123.71 1u8k s LYS 149 Ca 0.16 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.05 1u8k s LYS 149 Cb -0.12 -0.45 0.07 0.00 -0.52 0.00 0.00 37.83 36.81 1u8k s LYS 149 CO 0.05 0.02 -0.01 0.08 -0.92 0.00 0.00 175.35 174.57 1u8k s VAL 150 N 0.27 1.49 -1.35 3.17 1.01 -0.25 -0.15 120.40 124.59 1u8k s VAL 150 Ca -0.03 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.55 1u8k s VAL 150 Cb -0.06 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1u8k s VAL 150 CO -0.00 -0.26 0.83 0.47 0.00 0.00 0.00 175.10 176.14 1u8k n ASP 151 N 4.66 -2.41 0.00 3.32 8.00 0.10 -1.57 116.55 128.65 1u8k n ASP 151 Ca -0.08 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1u8k n ASP 151 Cb 0.44 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 1u8k n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1u8k n ASN 152 N -3.02 0.00 -4.71 -2.24 3.02 -1.26 -4.98 115.26 102.07 1u8k n ASN 152 Ca -0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.95 1u8k n ASN 152 Cb 0.64 -0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1u8k n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u8k s ALA 153 N -2.71 3.35 0.04 5.41 0.00 -0.61 -5.01 121.76 122.23 1u8k s ALA 153 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1u8k s ALA 153 Cb 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1u8k s ALA 153 CO 0.00 -0.19 1.15 -0.51 0.00 0.00 0.00 175.76 176.21 1u8k s LEU 154 N 1.00 4.36 0.17 0.00 1.43 -1.26 -1.09 118.68 123.29 1u8k s LEU 154 Ca 0.38 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 1u8k s LEU 154 Cb -0.18 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 1u8k s LEU 154 CO 0.18 -0.43 0.54 -1.10 0.23 0.00 0.00 176.35 175.77 1u8k s GLN 155 N 1.13 3.90 -0.10 1.70 -1.52 0.01 -4.96 119.66 119.82 1u8k s GLN 155 Ca 0.57 0.39 -0.12 0.00 -1.95 0.00 0.00 55.36 54.25 1u8k s GLN 155 Cb -0.27 -2.84 0.03 0.00 -0.22 0.00 0.00 33.01 29.71 1u8k s GLN 155 CO 0.28 0.43 0.34 0.45 -0.25 0.00 0.00 175.29 176.54 1u8k s SER 156 N -1.95 -0.32 0.00 5.90 0.15 -1.26 -4.63 113.70 111.59 1u8k s SER 156 Ca 0.41 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1u8k s SER 156 Cb -0.14 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1u8k s SER 156 CO 0.20 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1u8k n GLY 157 N 2.56 0.61 1.08 9.45 0.00 -1.26 -4.84 105.19 112.79 1u8k n GLY 157 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1u8k n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u8k n ASN 158 N -0.06 2.00 -3.80 1.61 2.04 -1.26 -5.03 115.26 110.76 1u8k n ASN 158 Ca 0.00 -3.42 -0.11 0.00 -0.44 0.00 0.00 54.58 50.61 1u8k n ASN 158 Cb 0.03 -0.46 -0.08 0.00 -2.53 0.00 0.00 39.78 36.74 1u8k n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1u8k s SER 159 N -3.06 -0.05 0.04 0.53 1.04 -1.26 -1.26 113.70 109.67 1u8k s SER 159 Ca 0.38 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.57 1u8k s SER 159 Cb 0.38 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1u8k s SER 159 CO -0.07 -0.56 -0.05 -1.10 0.98 0.00 0.00 173.24 172.44 1u8k s GLN 160 N -2.39 0.45 0.05 4.02 -0.21 -0.57 -4.96 119.66 116.04 1u8k s GLN 160 Ca -0.06 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.53 1u8k s GLN 160 Cb -0.02 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 1u8k s GLN 160 CO -0.03 -0.02 -0.02 -1.83 -2.12 0.00 0.00 175.29 171.27 1u8k s GLU 161 N -1.96 0.56 0.03 2.91 -1.05 -1.26 -0.29 118.70 117.65 1u8k s GLU 161 Ca -0.09 -1.10 -0.03 0.00 -0.15 0.00 0.00 54.97 53.60 1u8k s GLU 161 Cb -0.07 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1u8k s GLU 161 CO -0.02 -0.10 0.02 -1.54 0.95 0.00 0.00 175.26 174.57 1u8k s SER 162 N -2.64 0.25 0.10 0.83 1.04 0.03 -4.98 113.70 108.32 1u8k s SER 162 Ca 0.03 -0.59 0.10 0.00 0.48 0.00 0.00 55.95 55.97 1u8k s SER 162 Cb 0.05 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1u8k s SER 162 CO -0.08 -0.43 -0.25 -0.69 0.98 0.00 0.00 173.24 172.76 1u8k s VAL 163 N -2.31 2.09 0.76 5.02 1.01 -1.26 -1.32 120.40 124.39 1u8k s VAL 163 Ca -0.08 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 1u8k s VAL 163 Cb -0.03 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1u8k s VAL 163 CO -0.04 0.14 1.11 0.42 0.00 0.00 0.00 175.10 176.73 1u8k s THR 164 N -0.99 2.33 0.66 3.92 -4.23 -0.11 -4.98 115.64 112.22 1u8k s THR 164 Ca 0.12 -0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 1u8k s THR 164 Cb -0.10 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1u8k s THR 164 CO 0.04 -0.09 1.05 -1.61 -0.54 0.00 0.00 174.62 173.47 1u8k s GLU 165 N -5.43 3.21 0.16 3.99 0.41 -1.26 -4.65 118.70 115.13 1u8k s GLU 165 Ca 0.61 0.92 -0.32 0.00 -0.41 0.00 0.00 54.97 55.76 1u8k s GLU 165 Cb -0.11 -2.03 -0.12 0.00 -1.78 0.00 0.00 34.13 30.10 1u8k s GLU 165 CO 0.48 -0.88 1.74 0.94 -0.49 0.00 0.00 175.26 177.04 1u8k n GLN 166 N -2.85 2.63 -1.76 1.61 7.27 -1.26 -4.81 117.38 118.21 1u8k n GLN 166 Ca 0.07 0.95 -0.42 0.00 0.07 0.00 0.00 57.00 57.67 1u8k n GLN 166 Cb 0.54 -2.80 -0.02 0.00 2.41 0.00 0.00 30.24 30.37 1u8k n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1u8k s ASP 167 N 1.75 6.38 0.59 1.69 2.15 -0.14 -4.86 116.67 124.24 1u8k s ASP 167 Ca 0.79 2.90 0.29 0.00 0.43 0.00 0.00 52.55 56.96 1u8k s ASP 167 Cb -0.54 -2.62 1.80 0.00 -0.30 0.00 0.00 42.92 41.26 1u8k s ASP 167 CO 0.36 -0.94 2.24 0.77 -0.17 0.00 0.00 175.17 177.44 1u8k h SER 168 N 5.84 0.00 0.00 -0.34 4.64 -1.91 0.62 113.55 122.40 1u8k h SER 168 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1u8k h SER 168 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1u8k h SER 168 CO 0.88 0.01 -0.00 2.29 -0.87 0.00 0.00 176.83 179.13 1u8k n LYS 169 N -3.84 6.37 -0.05 4.77 2.85 -1.26 -4.70 118.16 122.30 1u8k n LYS 169 Ca -0.03 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.03 1u8k n LYS 169 Cb 0.09 -0.46 -0.13 0.00 -0.65 0.00 0.00 35.03 33.88 1u8k n LYS 169 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1u8k n ASP 170 N -0.92 2.04 -0.56 -5.58 9.92 -1.21 -4.98 116.55 115.27 1u8k n ASP 170 Ca 0.00 0.06 -0.07 0.00 -0.53 0.00 0.00 54.79 54.24 1u8k n ASP 170 Cb 0.00 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 39.80 1u8k n ASP 170 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1u8k n SER 171 N -3.38 -4.03 -4.84 -2.24 7.64 0.21 -4.97 113.62 102.01 1u8k n SER 171 Ca -0.38 0.18 -0.22 0.00 1.01 0.00 0.00 58.87 59.46 1u8k n SER 171 Cb 1.02 -2.17 -0.04 0.00 -1.01 0.00 0.00 64.21 62.01 1u8k n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1u8k s THR 172 N -2.22 2.58 0.36 0.44 -4.23 -1.26 -4.73 115.64 106.58 1u8k s THR 172 Ca 0.00 -1.43 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 1u8k s THR 172 Cb 0.00 -3.00 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 1u8k s THR 172 CO 0.00 -0.00 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.74 1u8k s TYR 173 N -2.50 2.33 -0.02 3.99 1.51 0.89 -0.96 117.35 122.60 1u8k s TYR 173 Ca 0.46 -0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1u8k s TYR 173 Cb -0.01 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1u8k s TYR 173 CO 0.27 0.40 0.08 -1.12 -1.11 0.00 0.00 175.55 174.07 1u8k s SER 174 N -3.61 -0.00 0.01 2.29 0.01 -1.26 0.09 113.70 111.22 1u8k s SER 174 Ca 0.34 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.58 1u8k s SER 174 Cb 0.07 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 1u8k s SER 174 CO 0.16 -0.18 -0.11 -0.22 0.41 0.00 0.00 173.24 173.31 1u8k s LEU 175 N -0.63 2.07 -0.10 2.44 0.20 0.11 -0.94 118.68 121.83 1u8k s LEU 175 Ca -0.07 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.51 1u8k s LEU 175 Cb -0.04 -0.52 0.01 0.00 -0.43 0.00 0.00 46.19 45.21 1u8k s LEU 175 CO 0.00 0.08 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.44 1u8k s SER 176 N -0.51 2.35 -0.08 3.68 0.15 -0.43 -0.22 113.70 118.64 1u8k s SER 176 Ca 0.03 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1u8k s SER 176 Cb -0.05 -1.06 0.01 0.00 -1.71 0.00 0.00 66.02 63.20 1u8k s SER 176 CO 0.00 0.04 -0.17 -0.55 1.20 0.00 0.00 173.24 173.76 1u8k s SER 177 N 0.81 2.34 -0.17 5.45 0.15 -0.01 -0.79 113.70 121.48 1u8k s SER 177 Ca -0.11 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 1u8k s SER 177 Cb -0.16 -1.06 -0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1u8k s SER 177 CO 0.01 0.09 -0.13 -0.89 1.20 0.00 0.00 173.24 173.53 1u8k s THR 178 N 0.50 2.86 -0.21 6.45 2.01 0.61 0.07 115.64 127.93 1u8k s THR 178 Ca -0.16 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 1u8k s THR 178 Cb -0.17 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1u8k s THR 178 CO 0.06 0.50 0.20 -0.22 -0.69 0.00 0.00 174.62 174.47 1u8k s LEU 179 N 0.92 4.16 -0.11 4.42 2.96 0.21 -1.51 118.68 129.72 1u8k s LEU 179 Ca -0.03 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1u8k s LEU 179 Cb -0.15 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1u8k s LEU 179 CO -0.01 0.08 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.04 1u8k s THR 180 N 0.82 2.71 0.19 3.68 2.01 -0.39 0.77 115.64 125.44 1u8k s THR 180 Ca 0.10 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 1u8k s THR 180 Cb -0.13 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1u8k s THR 180 CO 0.03 0.54 0.17 -0.76 -0.69 0.00 0.00 174.62 173.91 1u8k s LEU 181 N 0.27 1.13 0.51 4.42 1.43 -0.03 -4.84 118.68 121.57 1u8k s LEU 181 Ca -0.12 -1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 51.60 1u8k s LEU 181 Cb -0.16 0.56 -0.05 0.00 0.03 0.00 0.00 46.19 46.57 1u8k s LEU 181 CO 0.06 -0.86 0.87 -0.94 0.23 0.00 0.00 176.35 175.71 1u8k s SER 182 N -3.12 6.33 0.14 2.29 1.04 -1.26 -0.23 113.70 118.89 1u8k s SER 182 Ca 0.34 1.16 -0.18 0.00 0.48 0.00 0.00 55.95 57.76 1u8k s SER 182 Cb 0.06 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.84 1u8k s SER 182 CO 0.10 -0.63 1.75 0.50 0.98 0.00 0.00 173.24 175.94 1u8k h LYS 183 N 0.33 0.23 -0.47 4.02 3.64 -1.58 0.40 116.57 123.13 1u8k h LYS 183 Ca -0.46 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1u8k h LYS 183 Cb 1.20 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.87 1u8k h LYS 183 CO 0.62 0.15 -0.19 0.00 -2.27 0.00 0.00 179.45 177.76 1u8k h ALA 184 N 1.17 0.17 -0.35 5.00 0.00 -1.93 0.37 119.26 123.70 1u8k h ALA 184 Ca 0.12 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1u8k h ALA 184 Cb 0.09 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u8k h ALA 184 CO -0.12 -0.53 -0.18 -0.44 0.00 0.00 0.00 179.25 177.97 1u8k h ASP 185 N -0.09 0.76 -0.83 0.00 3.45 -1.82 -2.92 116.42 114.97 1u8k h ASP 185 Ca 0.22 -0.41 0.12 0.00 0.43 0.00 0.00 57.03 57.39 1u8k h ASP 185 Cb 0.43 -0.21 -0.08 0.00 -0.56 0.00 0.00 39.33 38.91 1u8k h ASP 185 CO -0.53 1.01 0.44 0.22 -1.57 0.00 0.00 179.24 178.81 1u8k h TYR 186 N 0.52 0.79 0.00 4.55 3.20 0.11 0.64 116.97 126.78 1u8k h TYR 186 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1u8k h TYR 186 Cb 0.72 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1u8k h TYR 186 CO 0.06 0.25 0.00 0.39 -1.64 0.00 0.00 178.16 177.22 1u8k n GLU 187 N -4.82 0.10 -0.11 1.82 -0.58 0.12 -2.91 120.64 114.25 1u8k n GLU 187 Ca 0.15 0.15 0.11 0.00 -0.42 0.00 0.00 57.16 57.15 1u8k n GLU 187 Cb 0.36 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 30.04 1u8k n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u8k n LYS 188 N -1.42 1.99 -4.17 3.49 5.02 0.22 -4.92 118.16 118.37 1u8k n LYS 188 Ca 0.06 -1.49 -0.10 0.00 -2.02 0.00 0.00 58.31 54.76 1u8k n LYS 188 Cb 0.19 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 1u8k n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1u8k s HIS 189 N -1.70 0.88 -0.06 2.13 3.76 -1.14 -5.10 115.29 114.04 1u8k s HIS 189 Ca 0.34 -0.99 -0.09 0.00 -0.15 0.00 0.00 55.06 54.17 1u8k s HIS 189 Cb 0.19 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1u8k s HIS 189 CO 0.28 -0.23 -0.19 1.63 -0.85 0.00 0.00 174.74 175.38 1u8k n LYS 190 N -0.05 0.29 -3.07 1.40 5.02 -1.26 -4.71 118.16 115.78 1u8k n LYS 190 Ca -0.11 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1u8k n LYS 190 Cb 0.61 -1.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.57 1u8k n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u8k s VAL 191 N -2.46 4.99 -0.25 -0.18 1.01 -1.26 0.50 120.40 122.76 1u8k s VAL 191 Ca -0.16 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 1u8k s VAL 191 Cb 0.03 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1u8k s VAL 191 CO 0.23 0.11 -0.06 -0.31 0.00 0.00 0.00 175.10 175.07 1u8k s TYR 192 N 1.84 3.07 0.04 5.22 1.51 -0.33 -0.72 117.35 127.97 1u8k s TYR 192 Ca 0.32 -1.55 0.09 0.00 -1.01 0.00 0.00 57.07 54.91 1u8k s TYR 192 Cb -0.16 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1u8k s TYR 192 CO 0.11 -0.73 -0.24 -1.21 -1.11 0.00 0.00 175.55 172.37 1u8k s GLU 193 N 1.33 1.89 -0.27 -0.62 2.02 0.79 -1.82 118.70 122.01 1u8k s GLU 193 Ca 0.00 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 53.96 1u8k s GLU 193 Cb -0.17 -2.04 0.07 0.00 0.10 0.00 0.00 34.13 32.10 1u8k s GLU 193 CO -0.04 0.52 -0.07 0.00 0.02 0.00 0.00 175.26 175.69 1u8k s GLU 195 N 1.10 4.18 -0.08 0.00 2.12 0.15 -1.82 118.70 124.35 1u8k s GLU 195 Ca -0.05 -0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.31 1u8k s GLU 195 Cb -0.20 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1u8k s GLU 195 CO -0.06 0.30 -0.24 0.08 -0.54 0.00 0.00 175.26 174.80 1u8k s VAL 196 N 0.32 2.12 -0.09 3.70 1.01 0.47 -0.50 120.40 127.42 1u8k s VAL 196 Ca 0.14 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1u8k s VAL 196 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1u8k s VAL 196 CO 0.02 0.56 -0.23 -0.89 0.00 0.00 0.00 175.10 174.57 1u8k s THR 197 N 0.11 1.96 -0.09 3.92 2.01 -0.18 -1.16 115.64 122.22 1u8k s THR 197 Ca -0.12 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.64 1u8k s THR 197 Cb -0.16 -1.70 0.06 0.00 0.01 0.00 0.00 72.50 70.72 1u8k s THR 197 CO 0.06 0.54 0.63 -2.28 -0.69 0.00 0.00 174.62 172.89 1u8k s HIS 198 N 0.33 -0.62 0.32 4.92 2.46 -1.26 -0.73 115.29 120.72 1u8k s HIS 198 Ca -0.17 1.15 0.07 0.00 0.47 0.00 0.00 55.06 56.58 1u8k s HIS 198 Cb -0.17 0.34 0.77 0.00 -0.13 0.00 0.00 32.58 33.39 1u8k s HIS 198 CO 0.08 -0.53 1.80 0.37 -2.47 0.00 0.00 174.74 173.99 1u8k h GLN 199 N 3.52 0.72 0.00 2.88 4.15 -1.93 0.27 115.11 124.73 1u8k h GLN 199 Ca -0.28 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1u8k h GLN 199 Cb 1.15 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1u8k h GLN 199 CO 0.33 0.48 0.00 0.41 -1.93 0.00 0.00 178.83 178.12 1u8k n GLY 200 N -1.36 -0.60 3.32 2.39 0.00 -1.26 -4.63 105.19 103.04 1u8k n GLY 200 Ca 0.22 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1u8k n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u8k s LEU 201 N -1.98 2.89 0.12 0.99 1.43 0.96 -4.45 118.68 118.65 1u8k s LEU 201 Ca 0.28 -0.37 -0.32 0.00 -1.03 0.00 0.00 54.13 52.69 1u8k s LEU 201 Cb 0.13 -1.73 -0.11 0.00 0.03 0.00 0.00 46.19 44.51 1u8k s LEU 201 CO 0.22 0.00 1.56 0.28 0.23 0.00 0.00 176.35 178.65 1u8k h SER 202 N 7.93 -1.55 -3.07 2.29 0.02 -1.83 -3.43 113.55 113.91 1u8k h SER 202 Ca -0.40 0.19 -0.47 0.00 -0.84 0.00 0.00 61.79 60.27 1u8k h SER 202 Cb 1.17 0.61 -0.14 0.00 0.14 0.00 0.00 62.40 64.17 1u8k h SER 202 CO 0.60 -0.48 -0.72 -0.94 -1.14 0.00 0.00 176.83 174.15 1u8k s SER 203 N -4.82 2.68 0.29 3.07 1.04 -1.26 -5.08 113.70 109.63 1u8k s SER 203 Ca -0.16 -1.08 -0.30 0.00 0.48 0.00 0.00 55.95 54.90 1u8k s SER 203 Cb 0.08 -0.15 -0.13 0.00 0.10 0.00 0.00 66.02 65.92 1u8k s SER 203 CO 0.62 -0.21 1.35 -2.65 0.98 0.00 0.00 173.24 173.33 1u8k n PRO 204 N -0.46 2.08 -3.82 4.02 -0.02 -1.26 -4.93 135.00 130.61 1u8k n PRO 204 Ca -0.07 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1u8k n PRO 204 Cb 0.61 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1u8k n PRO 204 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u8k s VAL 205 N -0.54 5.28 -0.08 -1.45 0.11 -0.31 -4.90 120.40 118.51 1u8k s VAL 205 Ca 0.62 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.84 1u8k s VAL 205 Cb -0.61 -3.38 -0.02 0.00 -1.53 0.00 0.00 36.38 30.84 1u8k s VAL 205 CO 0.55 0.47 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.75 1u8k s THR 206 N 0.16 2.90 -0.07 5.04 2.01 -1.26 -0.40 115.64 124.01 1u8k s THR 206 Ca 0.08 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1u8k s THR 206 Cb -0.11 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.25 1u8k s THR 206 CO -0.01 0.56 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.76 1u8k s LYS 207 N -0.26 2.31 0.29 4.92 -0.14 -0.76 -4.96 119.74 121.14 1u8k s LYS 207 Ca 0.01 -0.66 -0.06 0.00 -1.36 0.00 0.00 55.97 53.89 1u8k s LYS 207 Cb -0.13 -1.84 -0.00 0.00 -1.68 0.00 0.00 37.83 34.18 1u8k s LYS 207 CO 0.03 0.15 0.44 -1.54 -0.76 0.00 0.00 175.35 173.67 1u8k s SER 208 N 0.38 0.41 0.07 2.83 1.04 -1.26 0.16 113.70 117.33 1u8k s SER 208 Ca -0.14 -1.26 -0.21 0.00 0.48 0.00 0.00 55.95 54.82 1u8k s SER 208 Cb -0.16 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1u8k s SER 208 CO 0.06 -1.19 0.50 0.72 0.98 0.00 0.00 173.24 174.31 1u8k s PHE 209 N -3.54 -0.39 -0.31 5.02 -0.71 -0.75 -5.00 117.98 112.30 1u8k s PHE 209 Ca 0.28 0.35 -0.10 0.00 -1.04 0.00 0.00 56.93 56.42 1u8k s PHE 209 Cb 0.00 0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 1u8k s PHE 209 CO 0.15 -0.67 0.17 -0.80 -1.34 0.00 0.00 175.22 172.73 1u8k s ASN 210 N -2.17 5.66 0.45 1.98 0.01 -1.26 -1.19 114.94 118.42 1u8k s ASN 210 Ca -0.03 -0.45 -0.23 0.00 -0.71 0.00 0.00 52.86 51.43 1u8k s ASN 210 Cb -0.00 -2.03 -0.10 0.00 0.41 0.00 0.00 41.25 39.53 1u8k s ASN 210 CO -0.04 -0.18 0.96 -1.14 -1.51 0.00 0.00 177.10 175.19 1u8k n ARG 211 N 5.01 1.22 0.00 -0.60 0.63 0.18 -1.94 116.66 121.16 1u8k n ARG 211 Ca -0.14 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1u8k n ARG 211 Cb 0.50 -2.03 0.00 0.00 0.45 0.00 0.00 32.46 31.38 1u8k n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u8k n GLY 212 N 1.25 1.20 3.54 5.14 0.00 -1.26 -4.89 105.19 110.17 1u8k n GLY 212 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1u8k n GLY 212 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u8k n GLU 213 N 0.00 0.48 0.00 1.61 2.13 -0.82 -5.29 120.64 118.76 1u8k n GLU 213 Ca 0.00 -0.44 0.01 0.00 0.66 0.00 0.00 57.16 57.38 1u8k n GLU 213 Cb 0.00 -2.90 0.01 0.00 0.27 0.00 0.00 31.44 28.82 1u8k n GLU 213 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72