#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfe n VAL 2 N 0.00 0.00 -0.07 -0.39 0.31 -1.26 -4.86 118.33 112.06 2hfe n VAL 2 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2hfe n VAL 2 Cb 0.00 -0.03 -0.15 0.00 -0.91 0.00 0.00 33.84 32.76 2hfe n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hfe n GLN 3 N 1.12 0.67 -3.89 5.55 6.02 -1.26 -4.67 117.38 120.92 2hfe n GLN 3 Ca 0.14 0.14 -0.29 0.00 -0.01 0.00 0.00 57.00 56.97 2hfe n GLN 3 Cb 0.05 -1.63 -0.16 0.00 1.02 0.00 0.00 30.24 29.51 2hfe n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2hfe s LEU 4 N -5.97 2.13 -0.28 1.08 1.02 -1.26 -0.25 118.68 115.16 2hfe s LEU 4 Ca -0.12 -1.01 -0.10 0.00 0.02 0.00 0.00 54.13 52.91 2hfe s LEU 4 Cb 0.07 -1.02 -0.05 0.00 0.02 0.00 0.00 46.19 45.21 2hfe s LEU 4 CO 0.80 -0.24 0.17 -1.10 0.02 0.00 0.00 176.35 176.00 2hfe s GLN 5 N 1.52 3.88 0.11 1.70 -0.21 0.21 -4.26 119.66 122.62 2hfe s GLN 5 Ca -0.04 -0.36 0.08 0.00 0.02 0.00 0.00 55.36 55.07 2hfe s GLN 5 Cb -0.18 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.20 2hfe s GLN 5 CO -0.07 -0.19 -0.21 -0.65 -2.12 0.00 0.00 175.29 172.05 2hfe s GLN 6 N 1.73 1.15 0.62 2.91 -0.21 -1.26 -1.33 119.66 123.28 2hfe s GLN 6 Ca 0.07 -1.20 -0.18 0.00 0.02 0.00 0.00 55.36 54.07 2hfe s GLN 6 Cb -0.16 -1.41 -0.03 0.00 1.00 0.00 0.00 33.01 32.42 2hfe s GLN 6 CO 0.10 0.32 1.18 -2.30 -2.12 0.00 0.00 175.29 172.47 2hfe n PRO 7 N 1.00 1.08 0.13 2.91 -0.02 -1.26 -4.80 135.00 134.03 2hfe n PRO 7 Ca -0.19 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 2hfe n PRO 7 Cb 0.54 -2.40 0.12 0.00 -0.02 0.00 0.00 33.50 31.74 2hfe n PRO 7 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2hfe h GLY 8 N 0.58 0.00 -2.81 -1.23 0.00 -1.94 -3.30 103.07 94.37 2hfe h GLY 8 Ca -0.50 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.89 2hfe h GLY 8 CO 0.52 0.00 0.33 0.00 0.00 0.00 0.00 176.54 177.40 2hfe s ALA 9 N -3.37 -1.60 -0.14 3.60 0.00 -1.26 -1.08 121.76 117.91 2hfe s ALA 9 Ca -0.00 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 2hfe s ALA 9 Cb 0.12 0.71 0.05 0.00 0.00 0.00 0.00 23.12 24.00 2hfe s ALA 9 CO 0.76 -0.84 0.36 -1.21 0.00 0.00 0.00 175.76 174.84 2hfe s GLU 10 N -3.54 0.38 -0.14 0.00 0.41 -0.16 -4.78 118.70 110.87 2hfe s GLU 10 Ca 0.06 0.63 -0.03 0.00 -0.41 0.00 0.00 54.97 55.21 2hfe s GLU 10 Cb -0.02 0.06 -0.03 0.00 -1.78 0.00 0.00 34.13 32.36 2hfe s GLU 10 CO -0.06 -0.11 -0.04 -1.17 -0.49 0.00 0.00 175.26 173.39 2hfe s LEU 11 N 0.86 3.24 -0.00 1.80 2.96 -1.26 -1.16 118.68 125.12 2hfe s LEU 11 Ca -0.05 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2hfe s LEU 11 Cb -0.06 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 2hfe s LEU 11 CO -0.06 0.20 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.43 2hfe s VAL 12 N 0.18 0.38 0.21 1.68 1.01 0.65 -4.96 120.40 119.55 2hfe s VAL 12 Ca -0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 2hfe s VAL 12 Cb -0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 35.84 2hfe s VAL 12 CO 0.03 0.11 0.64 -0.54 0.00 0.00 0.00 175.10 175.33 2hfe s LYS 13 N -0.12 4.06 0.12 2.72 1.02 -1.25 -0.44 119.74 125.85 2hfe s LYS 13 Ca 0.02 0.63 -0.35 0.00 0.02 0.00 0.00 55.97 56.28 2hfe s LYS 13 Cb -0.02 -2.80 -0.16 0.00 -0.52 0.00 0.00 37.83 34.33 2hfe s LYS 13 CO -0.00 0.38 1.37 -0.35 -0.92 0.00 0.00 175.35 175.82 2hfe n PRO 14 N 0.48 1.41 0.00 -1.68 -0.04 -1.26 -0.64 135.00 133.27 2hfe n PRO 14 Ca -0.02 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2hfe n PRO 14 Cb 0.52 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2hfe n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hfe n GLY 15 N 2.61 3.15 3.81 0.55 0.00 0.02 -4.95 105.19 110.38 2hfe n GLY 15 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2hfe n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfe s ALA 16 N -2.04 1.70 0.06 4.61 0.00 0.19 -3.85 121.76 122.42 2hfe s ALA 16 Ca 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.03 2hfe s ALA 16 Cb 0.00 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2hfe s ALA 16 CO 0.00 -2.72 -0.16 -1.12 0.00 0.00 0.00 175.76 171.76 2hfe s SER 17 N -4.44 1.94 0.07 0.00 0.01 -1.26 -2.02 113.70 108.00 2hfe s SER 17 Ca 0.71 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.44 2hfe s SER 17 Cb -0.08 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 2hfe s SER 17 CO 0.54 0.02 -0.09 0.54 0.41 0.00 0.00 173.24 174.66 2hfe s VAL 18 N -1.04 0.76 -0.23 3.43 0.11 -0.07 -5.00 120.40 118.37 2hfe s VAL 18 Ca 0.02 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.64 2hfe s VAL 18 Cb -0.09 -1.11 0.05 0.00 -1.53 0.00 0.00 36.38 33.70 2hfe s VAL 18 CO 0.02 -0.52 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.43 2hfe s LYS 19 N -2.42 2.05 0.33 1.54 2.20 -1.26 -0.51 119.74 121.67 2hfe s LYS 19 Ca 0.00 -1.05 -0.12 0.00 -0.36 0.00 0.00 55.97 54.44 2hfe s LYS 19 Cb -0.05 -2.63 -0.08 0.00 -1.51 0.00 0.00 37.83 33.57 2hfe s LYS 19 CO -0.00 -0.51 0.70 -0.51 -0.36 0.00 0.00 175.35 174.67 2hfe s LEU 20 N 1.29 4.00 0.28 5.43 1.43 -0.19 -4.89 118.68 126.04 2hfe s LEU 20 Ca -0.05 1.13 0.09 0.00 -1.03 0.00 0.00 54.13 54.27 2hfe s LEU 20 Cb -0.18 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 42.03 2hfe s LEU 20 CO -0.07 -0.25 -0.13 -0.94 0.23 0.00 0.00 176.35 175.20 2hfe s SER 21 N -2.65 3.21 -0.26 2.29 1.04 -1.26 -1.05 113.70 115.02 2hfe s SER 21 Ca 0.51 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 2hfe s SER 21 Cb -0.10 -0.25 0.15 0.00 0.10 0.00 0.00 66.02 65.92 2hfe s SER 21 CO 0.24 -0.16 0.42 0.00 0.98 0.00 0.00 173.24 174.72 2hfe s LYS 23 N 2.61 4.08 -0.04 0.00 2.36 -0.44 -1.68 119.74 126.63 2hfe s LYS 23 Ca 0.14 0.14 -0.02 0.00 -2.55 0.00 0.00 55.97 53.67 2hfe s LYS 23 Cb -0.15 -3.61 -0.04 0.00 -1.05 0.00 0.00 37.83 32.98 2hfe s LYS 23 CO -0.19 -0.20 0.09 0.00 1.55 0.00 0.00 175.35 176.60 2hfe s ALA 24 N 1.81 3.63 0.37 3.13 0.00 -0.50 0.67 121.76 130.87 2hfe s ALA 24 Ca 0.17 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2hfe s ALA 24 Cb -0.15 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 2hfe s ALA 24 CO 0.09 0.66 0.21 -1.54 0.00 0.00 0.00 175.76 175.19 2hfe s SER 25 N -1.47 2.23 0.00 0.00 1.04 0.66 -4.86 113.70 111.30 2hfe s SER 25 Ca 0.20 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 54.89 2hfe s SER 25 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2hfe s SER 25 CO 0.10 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2hfe n GLY 26 N -0.77 -2.09 3.69 7.32 0.00 -1.26 -4.79 105.19 107.29 2hfe n GLY 26 Ca 0.01 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 2hfe n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hfe n TYR 27 N -0.07 2.48 -5.07 1.61 4.02 -1.26 -5.00 117.16 113.87 2hfe n TYR 27 Ca 0.00 0.16 -0.29 0.00 -0.01 0.00 0.00 57.90 57.76 2hfe n TYR 27 Cb 0.00 -2.60 -0.16 0.00 -0.02 0.00 0.00 39.34 36.55 2hfe n TYR 27 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2hfe s THR 28 N 1.11 1.78 0.20 -0.72 -4.23 -1.26 -5.14 115.64 107.38 2hfe s THR 28 Ca 0.78 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 60.44 2hfe s THR 28 Cb -0.60 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 2hfe s THR 28 CO 0.36 0.50 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.47 2hfe s PHE 29 N -0.02 1.58 0.29 3.99 0.08 -1.26 -5.02 117.98 117.62 2hfe s PHE 29 Ca -0.05 -0.67 0.37 0.00 0.12 0.00 0.00 56.93 56.70 2hfe s PHE 29 Cb -0.13 -0.79 1.80 0.00 -0.57 0.00 0.00 43.02 43.33 2hfe s PHE 29 CO 0.04 0.23 2.12 0.00 -0.10 0.00 0.00 175.22 177.50 2hfe h THR 30 N 2.59 0.00 -0.55 0.64 1.03 -2.00 -2.53 112.91 112.09 2hfe h THR 30 Ca -0.38 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.78 2hfe h THR 30 Cb 1.21 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 2hfe h THR 30 CO 0.63 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.60 2hfe n SER 31 N -2.97 5.15 -4.81 0.00 3.41 -1.26 -4.64 113.62 108.49 2hfe n SER 31 Ca -0.01 -2.74 -0.37 0.00 -0.26 0.00 0.00 58.87 55.49 2hfe n SER 31 Cb 0.18 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.43 2hfe n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2hfe s ASP 32 N -0.75 7.10 0.03 4.04 1.01 -0.95 -2.83 116.67 124.32 2hfe s ASP 32 Ca 0.50 1.44 0.07 0.00 0.71 0.00 0.00 52.55 55.26 2hfe s ASP 32 Cb 0.36 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 2hfe s ASP 32 CO 0.17 0.07 -0.21 0.26 0.21 0.00 0.00 175.17 175.67 2hfe s TRP 33 N -1.44 1.84 -0.21 4.23 0.52 0.97 -4.18 118.94 120.66 2hfe s TRP 33 Ca 0.41 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 56.12 2hfe s TRP 33 Cb -0.18 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 2hfe s TRP 33 CO 0.22 0.07 -0.03 0.42 0.02 0.00 0.00 176.95 177.65 2hfe s ILE 34 N -0.74 3.61 0.19 2.03 -1.09 -0.50 -0.28 121.20 124.42 2hfe s ILE 34 Ca 0.08 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.14 2hfe s ILE 34 Cb -0.09 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 2hfe s ILE 34 CO 0.01 0.43 0.08 -1.00 -1.23 0.00 0.00 174.94 173.23 2hfe s HIS 35 N 1.22 3.00 -0.08 3.97 3.76 -0.50 -1.35 115.29 125.31 2hfe s HIS 35 Ca 0.03 -0.09 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 2hfe s HIS 35 Cb -0.14 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.12 2hfe s HIS 35 CO -0.00 0.53 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.64 2hfe s TRP 36 N -1.83 2.09 -0.04 1.40 0.52 -0.76 -0.53 118.94 119.79 2hfe s TRP 36 Ca 0.30 -0.82 0.04 0.00 0.02 0.00 0.00 56.10 55.65 2hfe s TRP 36 Cb -0.09 -1.43 -0.00 0.00 -1.15 0.00 0.00 33.47 30.79 2hfe s TRP 36 CO 0.22 -0.35 -0.16 0.08 0.02 0.00 0.00 176.95 176.75 2hfe s VAL 37 N 0.44 1.36 -0.15 4.03 1.01 0.11 -0.64 120.40 126.56 2hfe s VAL 37 Ca -0.16 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2hfe s VAL 37 Cb -0.17 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2hfe s VAL 37 CO 0.07 0.39 -0.06 -0.75 0.00 0.00 0.00 175.10 174.75 2hfe s LYS 38 N -0.02 3.60 -0.10 2.72 2.20 0.67 -0.60 119.74 128.21 2hfe s LYS 38 Ca -0.02 -0.56 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 2hfe s LYS 38 Cb -0.10 -2.85 0.02 0.00 -1.51 0.00 0.00 37.83 33.38 2hfe s LYS 38 CO 0.02 0.22 -0.10 -1.14 -0.36 0.00 0.00 175.35 173.99 2hfe s GLN 39 N 0.39 1.71 0.21 4.03 0.74 -0.40 -0.99 119.66 125.36 2hfe s GLN 39 Ca -0.05 -0.35 -0.03 0.00 0.05 0.00 0.00 55.36 54.97 2hfe s GLN 39 Cb -0.15 -1.62 -0.05 0.00 1.10 0.00 0.00 33.01 32.29 2hfe s GLN 39 CO 0.03 -0.17 0.44 1.03 -0.55 0.00 0.00 175.29 176.07 2hfe s ARG 40 N 1.36 3.59 -0.09 1.67 0.52 -1.26 -0.97 118.95 123.76 2hfe s ARG 40 Ca -0.01 -0.16 -0.39 0.00 -0.52 0.00 0.00 55.73 54.66 2hfe s ARG 40 Cb -0.14 -2.78 -0.16 0.00 0.52 0.00 0.00 34.95 32.39 2hfe s ARG 40 CO -0.05 0.36 1.52 -2.30 0.02 0.00 0.00 175.30 174.85 2hfe n PRO 41 N -0.54 1.10 0.00 3.54 -0.02 -1.26 -1.09 135.00 136.72 2hfe n PRO 41 Ca -0.03 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2hfe n PRO 41 Cb 0.53 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2hfe n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hfe n GLY 42 N 3.27 1.45 1.32 -1.23 0.00 -1.26 -4.97 105.19 103.77 2hfe n GLY 42 Ca 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2hfe n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hfe n HIS 43 N 0.00 -3.74 -2.08 1.61 8.25 -0.25 -5.09 115.22 113.92 2hfe n HIS 43 Ca 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2hfe n HIS 43 Cb 0.00 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2hfe n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hfe n GLY 44 N 1.16 0.52 3.72 -1.41 0.00 -1.26 -4.62 105.19 103.30 2hfe n GLY 44 Ca 0.06 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 2hfe n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hfe s LEU 45 N 0.00 4.32 -0.17 0.99 1.43 -1.26 -4.16 118.68 119.83 2hfe s LEU 45 Ca 0.00 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 2hfe s LEU 45 Cb 0.00 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.26 2hfe s LEU 45 CO 0.00 -0.07 -0.16 -0.70 0.23 0.00 0.00 176.35 175.66 2hfe s GLU 46 N 0.66 2.50 0.12 1.70 2.12 -0.16 -4.98 118.70 120.67 2hfe s GLU 46 Ca 0.34 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 2hfe s GLU 46 Cb -0.17 -2.32 -0.07 0.00 0.26 0.00 0.00 34.13 31.83 2hfe s GLU 46 CO 0.16 -0.26 1.22 -0.46 -0.54 0.00 0.00 175.26 175.39 2hfe s TRP 47 N 1.40 3.41 -0.24 5.30 -0.00 -1.26 -0.24 118.94 127.31 2hfe s TRP 47 Ca 0.04 1.31 -0.09 0.00 -0.00 0.00 0.00 56.10 57.36 2hfe s TRP 47 Cb -0.13 -3.46 -0.11 0.00 -0.00 0.00 0.00 33.47 29.77 2hfe s TRP 47 CO -0.11 -1.38 -0.28 -0.89 -0.00 0.00 0.00 176.95 174.29 2hfe n ILE 48 N 3.31 1.31 -1.47 5.86 5.41 0.18 -4.65 119.36 129.32 2hfe n ILE 48 Ca 0.07 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.45 2hfe n ILE 48 Cb 0.45 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 2hfe n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hfe n GLY 49 N 1.71 -1.18 3.34 7.39 0.00 -1.21 -0.55 105.19 114.69 2hfe n GLY 49 Ca -0.46 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2hfe n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hfe s GLU 50 N -1.05 1.10 -0.02 1.61 -1.05 -0.43 -1.83 118.70 117.03 2hfe s GLU 50 Ca 0.00 -0.86 -0.12 0.00 -0.15 0.00 0.00 54.97 53.84 2hfe s GLU 50 Cb 0.00 0.44 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 2hfe s GLU 50 CO 0.00 -0.42 0.26 -1.50 0.95 0.00 0.00 175.26 174.54 2hfe s ILE 51 N -3.85 0.06 -0.36 1.83 2.07 -0.46 -1.32 121.20 119.17 2hfe s ILE 51 Ca 0.07 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.82 2hfe s ILE 51 Cb 0.02 -0.53 0.09 0.00 0.13 0.00 0.00 42.46 42.17 2hfe s ILE 51 CO -0.08 -0.26 0.12 -0.51 -1.91 0.00 0.00 174.94 172.30 2hfe s ILE 52 N -1.12 3.13 0.18 2.00 2.07 -0.52 -1.41 121.20 125.53 2hfe s ILE 52 Ca -0.12 -1.81 -0.16 0.00 -1.41 0.00 0.00 60.65 57.15 2hfe s ILE 52 Cb -0.05 -3.03 0.12 0.00 0.13 0.00 0.00 42.46 39.63 2hfe s ILE 52 CO 0.03 -0.47 1.66 -0.65 -1.91 0.00 0.00 174.94 173.60 2hfe h PRO 53 N 8.01 0.01 0.00 3.50 0.11 -1.88 0.85 132.00 142.60 2hfe h PRO 53 Ca -0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2hfe h PRO 53 Cb 1.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2hfe h PRO 53 CO 0.62 0.01 0.32 0.66 -0.21 0.00 0.00 178.00 179.40 2hfe h SER 54 N 0.01 0.00 0.00 -2.05 4.64 -1.86 -2.88 113.55 111.42 2hfe h SER 54 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2hfe h SER 54 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2hfe h SER 54 CO -0.45 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 174.74 2hfe n TYR 55 N -2.87 0.00 -0.54 4.77 9.36 -0.82 -5.05 117.16 122.01 2hfe n TYR 55 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2hfe n TYR 55 Cb 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 2hfe n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2hfe n GLY 56 N 2.17 0.74 3.83 2.98 0.00 0.29 -5.05 105.19 110.15 2hfe n GLY 56 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2hfe n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hfe s ARG 57 N -0.46 4.04 0.05 1.61 3.52 -1.23 -4.86 118.95 121.61 2hfe s ARG 57 Ca 0.00 0.55 0.06 0.00 -0.13 0.00 0.00 55.73 56.21 2hfe s ARG 57 Cb 0.00 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 2hfe s ARG 57 CO 0.00 0.64 -0.18 0.00 -0.81 0.00 0.00 175.30 174.95 2hfe s ALA 58 N -1.16 1.48 0.17 6.12 0.00 -1.26 -1.43 121.76 125.68 2hfe s ALA 58 Ca 0.28 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.37 2hfe s ALA 58 Cb -0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2hfe s ALA 58 CO 0.17 0.31 -0.19 -0.80 0.00 0.00 0.00 175.76 175.24 2hfe s ASN 59 N -1.21 2.80 0.09 0.00 0.01 -0.43 -4.97 114.94 111.23 2hfe s ASN 59 Ca 0.04 -0.86 0.06 0.00 -0.71 0.00 0.00 52.86 51.39 2hfe s ASN 59 Cb -0.08 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.37 2hfe s ASN 59 CO 0.02 -0.01 -0.15 -0.31 -1.51 0.00 0.00 177.10 175.13 2hfe s TYR 60 N -1.99 1.39 -0.11 2.20 1.51 -1.26 -1.31 117.35 117.77 2hfe s TYR 60 Ca 0.17 -0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 2hfe s TYR 60 Cb -0.06 -0.76 -0.06 0.00 -0.11 0.00 0.00 41.96 40.97 2hfe s TYR 60 CO 0.07 0.11 1.90 1.21 -1.11 0.00 0.00 175.55 177.73 2hfe s ASN 61 N -1.99 6.19 0.29 2.29 3.84 0.29 -4.88 114.94 120.97 2hfe s ASN 61 Ca 0.03 2.12 0.25 0.00 0.21 0.00 0.00 52.86 55.48 2hfe s ASN 61 Cb -0.08 -2.53 0.70 0.00 -0.55 0.00 0.00 41.25 38.79 2hfe s ASN 61 CO 0.03 -1.33 1.73 -0.33 -2.79 0.00 0.00 177.10 174.41 2hfe h GLU 62 N 11.68 0.00 0.00 0.43 5.08 -1.95 -3.27 114.58 126.55 2hfe h GLU 62 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2hfe h GLU 62 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2hfe h GLU 62 CO 0.96 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.60 2hfe n LYS 63 N -2.53 0.29 -4.37 2.33 5.02 -1.26 -4.82 118.16 112.83 2hfe n LYS 63 Ca 0.05 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 2hfe n LYS 63 Cb 0.44 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.85 2hfe n LYS 63 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2hfe s ILE 64 N -2.68 1.83 0.39 -0.18 -4.36 -1.23 -5.12 121.20 109.84 2hfe s ILE 64 Ca 0.22 -2.23 -0.27 0.00 -0.26 0.00 0.00 60.65 58.11 2hfe s ILE 64 Cb 0.18 -2.11 -0.09 0.00 1.25 0.00 0.00 42.46 41.68 2hfe s ILE 64 CO 0.43 -0.55 1.35 0.00 0.24 0.00 0.00 174.94 176.41 2hfe s GLN 65 N -3.63 4.06 -1.05 0.37 0.00 -1.26 -4.93 119.66 113.22 2hfe s GLN 65 Ca 0.24 2.27 -0.21 0.00 -0.00 0.00 0.00 55.36 57.66 2hfe s GLN 65 Cb -0.01 -2.86 0.07 0.00 0.00 0.00 0.00 33.01 30.21 2hfe s GLN 65 CO 0.08 -0.46 1.42 0.21 0.00 0.00 0.00 175.29 176.54 2hfe s LYS 66 N -2.13 3.67 0.01 9.60 2.20 -1.26 -4.78 119.74 127.05 2hfe s LYS 66 Ca 0.55 -1.43 0.25 0.00 -0.36 0.00 0.00 55.97 54.97 2hfe s LYS 66 Cb -0.41 -5.28 0.46 0.00 -1.51 0.00 0.00 37.83 31.10 2hfe s LYS 66 CO 0.53 -2.11 1.38 1.63 -0.36 0.00 0.00 175.35 176.43 2hfe n LYS 67 N 8.20 0.04 -4.21 4.03 4.76 -1.26 -4.95 118.16 124.76 2hfe n LYS 67 Ca 0.33 0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.49 2hfe n LYS 67 Cb 0.50 -1.52 -0.09 0.00 -1.84 0.00 0.00 35.03 32.07 2hfe n LYS 67 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hfe s ALA 68 N -3.03 3.05 -0.04 7.82 0.00 -1.26 -1.65 121.76 126.66 2hfe s ALA 68 Ca 0.10 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 2hfe s ALA 68 Cb 0.17 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.38 2hfe s ALA 68 CO 0.71 0.60 0.05 0.99 0.00 0.00 0.00 175.76 178.11 2hfe s THR 69 N -1.38 -0.06 0.01 0.00 2.01 -0.83 -4.96 115.64 110.43 2hfe s THR 69 Ca 0.24 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.59 2hfe s THR 69 Cb -0.11 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 2hfe s THR 69 CO 0.15 0.17 0.08 -0.76 -0.69 0.00 0.00 174.62 173.57 2hfe s LEU 70 N 1.89 3.86 0.12 4.42 1.43 -1.26 -0.88 118.68 128.26 2hfe s LEU 70 Ca 0.02 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2hfe s LEU 70 Cb -0.12 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 2hfe s LEU 70 CO -0.03 0.25 0.21 0.42 0.23 0.00 0.00 176.35 177.43 2hfe s THR 71 N -1.22 0.11 0.12 5.49 -4.23 -0.67 -4.90 115.64 110.34 2hfe s THR 71 Ca 0.24 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2hfe s THR 71 Cb -0.12 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 2hfe s THR 71 CO 0.15 -0.49 -0.01 0.00 -0.54 0.00 0.00 174.62 173.73 2hfe s ALA 72 N -3.93 0.97 -0.25 3.99 0.00 -1.26 -0.24 121.76 121.05 2hfe s ALA 72 Ca 0.12 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 2hfe s ALA 72 Cb 0.05 0.47 0.07 0.00 0.00 0.00 0.00 23.12 23.71 2hfe s ALA 72 CO -0.05 -0.35 0.02 0.34 0.00 0.00 0.00 175.76 175.72 2hfe s ASP 73 N -3.06 3.65 0.15 0.00 -1.08 0.11 -4.96 116.67 111.48 2hfe s ASP 73 Ca 0.18 -1.25 -0.16 0.00 -0.52 0.00 0.00 52.55 50.80 2hfe s ASP 73 Cb 0.07 -0.93 0.01 0.00 -1.46 0.00 0.00 42.92 40.61 2hfe s ASP 73 CO -0.02 -0.32 1.80 0.11 0.52 0.00 0.00 175.17 177.27 2hfe h LYS 74 N 8.07 0.54 -0.12 4.34 1.57 -1.90 -1.35 116.57 127.71 2hfe h LYS 74 Ca -0.15 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2hfe h LYS 74 Cb 1.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2hfe h LYS 74 CO 0.41 0.37 0.04 0.66 -0.57 0.00 0.00 179.45 180.36 2hfe h SER 75 N 0.54 0.04 -0.35 0.86 4.64 -1.97 -3.01 113.55 114.30 2hfe h SER 75 Ca 0.15 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2hfe h SER 75 Cb -0.04 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2hfe h SER 75 CO -0.03 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.43 2hfe n SER 76 N -5.07 1.97 -4.27 4.97 3.41 -1.20 -4.94 113.62 108.49 2hfe n SER 76 Ca -0.05 -1.96 -0.36 0.00 -0.26 0.00 0.00 58.87 56.24 2hfe n SER 76 Cb 0.05 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 2hfe n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hfe n SER 77 N 0.57 -2.31 -4.15 4.04 7.64 -0.53 -4.79 113.62 114.09 2hfe n SER 77 Ca 0.13 -1.08 -0.27 0.00 1.01 0.00 0.00 58.87 58.66 2hfe n SER 77 Cb 0.32 -2.45 -0.16 0.00 -1.01 0.00 0.00 64.21 60.91 2hfe n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2hfe s THR 78 N -3.44 1.49 -0.06 0.44 2.01 -1.08 -1.41 115.64 113.58 2hfe s THR 78 Ca 0.62 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 2hfe s THR 78 Cb -0.35 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2hfe s THR 78 CO 0.95 0.43 -0.01 0.00 -0.69 0.00 0.00 174.62 175.29 2hfe s ALA 79 N 0.01 3.22 0.11 7.40 0.00 -0.67 0.04 121.76 131.86 2hfe s ALA 79 Ca -0.04 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.15 2hfe s ALA 79 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2hfe s ALA 79 CO 0.02 0.60 -0.22 -0.06 0.00 0.00 0.00 175.76 176.10 2hfe s PHE 80 N -0.93 1.92 -0.20 0.00 0.40 0.67 -1.47 117.98 118.38 2hfe s PHE 80 Ca 0.15 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2hfe s PHE 80 Cb -0.11 -1.05 0.05 0.00 0.51 0.00 0.00 43.02 42.42 2hfe s PHE 80 CO 0.04 0.24 -0.03 1.41 0.70 0.00 0.00 175.22 177.58 2hfe s MET 81 N -1.97 1.33 -0.43 0.44 1.75 -0.21 -1.66 119.30 118.55 2hfe s MET 81 Ca 0.09 -0.67 -0.22 0.00 -1.25 0.00 0.00 55.69 53.64 2hfe s MET 81 Cb -0.10 -2.24 0.02 0.00 2.84 0.00 0.00 34.83 35.35 2hfe s MET 81 CO 0.05 -0.54 0.72 -1.14 -0.65 0.00 0.00 175.02 173.46 2hfe s GLN 82 N 1.60 3.41 -0.19 4.11 2.00 -0.06 -1.02 119.66 129.51 2hfe s GLN 82 Ca -0.02 -0.15 -0.12 0.00 -2.00 0.00 0.00 55.36 53.07 2hfe s GLN 82 Cb -0.17 -3.92 -0.05 0.00 0.80 0.00 0.00 33.01 29.67 2hfe s GLN 82 CO -0.07 -1.03 0.22 -0.51 -0.50 0.00 0.00 175.29 173.40 2hfe s LEU 83 N 3.06 4.20 0.06 3.68 1.43 0.33 -1.97 118.68 129.48 2hfe s LEU 83 Ca 0.27 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 2hfe s LEU 83 Cb -0.13 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2hfe s LEU 83 CO 0.20 0.11 -0.14 -0.94 0.23 0.00 0.00 176.35 175.81 2hfe s SER 84 N 0.57 1.63 -1.17 2.29 1.04 -0.66 -0.90 113.70 116.51 2hfe s SER 84 Ca 0.12 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 2hfe s SER 84 Cb -0.12 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 2hfe s SER 84 CO 0.02 -0.05 0.90 -1.20 0.98 0.00 0.00 173.24 173.89 2hfe n SER 85 N 1.45 -3.50 -4.81 7.02 7.64 -0.86 -4.87 113.62 115.70 2hfe n SER 85 Ca -0.20 -0.71 -0.30 0.00 1.01 0.00 0.00 58.87 58.66 2hfe n SER 85 Cb 0.54 -4.83 0.07 0.00 -1.01 0.00 0.00 64.21 58.98 2hfe n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hfe s LEU 86 N -6.13 2.87 0.33 -3.43 1.43 -1.00 -4.64 118.68 108.12 2hfe s LEU 86 Ca 0.17 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2hfe s LEU 86 Cb -0.03 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 2hfe s LEU 86 CO 0.76 -1.70 0.36 0.42 0.23 0.00 0.00 176.35 176.42 2hfe s THR 87 N -3.10 0.00 0.60 5.49 -4.23 -1.26 -0.80 115.64 112.35 2hfe s THR 87 Ca 0.59 -1.82 0.31 0.00 -1.18 0.00 0.00 61.69 59.60 2hfe s THR 87 Cb -0.14 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.50 2hfe s THR 87 CO 0.55 0.00 2.20 0.77 -0.54 0.00 0.00 174.62 177.60 2hfe h SER 88 N 2.14 0.00 0.15 3.99 4.64 -1.99 0.10 113.55 122.59 2hfe h SER 88 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2hfe h SER 88 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2hfe h SER 88 CO 0.38 0.00 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.96 2hfe h GLU 89 N 0.00 0.00 -0.15 4.77 5.08 -1.95 -2.13 114.58 120.20 2hfe h GLU 89 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2hfe h GLU 89 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2hfe h GLU 89 CO -0.00 0.05 0.00 -0.25 -1.00 0.00 0.00 179.01 177.81 2hfe n ASP 90 N -3.74 1.64 -4.67 1.42 8.00 0.35 -4.87 116.55 114.68 2hfe n ASP 90 Ca -0.02 -1.69 -0.43 0.00 0.71 0.00 0.00 54.79 53.36 2hfe n ASP 90 Cb 0.15 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2hfe n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2hfe s SER 91 N -1.60 7.14 -0.02 -2.24 0.01 -0.80 -4.87 113.70 111.32 2hfe s SER 91 Ca 0.33 1.41 -0.29 0.00 1.31 0.00 0.00 55.95 58.70 2hfe s SER 91 Cb 0.18 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.98 2hfe s SER 91 CO 0.27 -0.55 1.29 0.00 0.41 0.00 0.00 173.24 174.66 2hfe s ALA 92 N 2.60 -2.38 -0.01 1.44 0.00 -0.84 -4.79 121.76 117.79 2hfe s ALA 92 Ca 0.45 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 2hfe s ALA 92 Cb -0.16 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 2hfe s ALA 92 CO 0.12 -1.11 0.63 0.08 0.00 0.00 0.00 175.76 175.47 2hfe s VAL 93 N -2.16 4.90 -0.24 0.00 1.01 -0.15 -1.00 120.40 122.76 2hfe s VAL 93 Ca 0.23 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2hfe s VAL 93 Cb 0.02 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2hfe s VAL 93 CO -0.02 0.39 -0.10 -0.31 0.00 0.00 0.00 175.10 175.06 2hfe s TYR 94 N -0.07 3.06 0.08 5.22 2.02 -0.55 -1.28 117.35 125.83 2hfe s TYR 94 Ca 0.33 -1.77 -0.03 0.00 -0.37 0.00 0.00 57.07 55.22 2hfe s TYR 94 Cb -0.18 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 2hfe s TYR 94 CO 0.18 -0.79 0.28 0.71 -1.57 0.00 0.00 175.55 174.37 2hfe s TYR 95 N 1.26 3.52 0.19 2.71 2.02 0.23 -2.12 117.35 125.17 2hfe s TYR 95 Ca -0.01 0.44 0.07 0.00 -0.37 0.00 0.00 57.07 57.20 2hfe s TYR 95 Cb -0.17 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2hfe s TYR 95 CO -0.06 0.54 0.07 0.00 -1.57 0.00 0.00 175.55 174.53 2hfe s ALA 97 N -1.84 0.10 -0.05 0.00 0.00 0.32 -0.86 121.76 119.43 2hfe s ALA 97 Ca 0.30 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2hfe s ALA 97 Cb -0.09 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 2hfe s ALA 97 CO 0.21 -0.49 -0.25 0.50 0.00 0.00 0.00 175.76 175.74 2hfe s ARG 98 N -3.91 2.40 -0.11 0.00 3.52 0.21 -1.42 118.95 119.64 2hfe s ARG 98 Ca 0.09 -0.89 0.03 0.00 -0.13 0.00 0.00 55.73 54.83 2hfe s ARG 98 Cb 0.06 -2.09 0.01 0.00 -1.56 0.00 0.00 34.95 31.36 2hfe s ARG 98 CO -0.08 0.41 -0.21 -2.00 -0.81 0.00 0.00 175.30 172.60 2hfe s GLU 99 N -0.24 2.83 -0.01 5.12 2.12 0.62 -2.66 118.70 126.48 2hfe s GLU 99 Ca -0.01 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2hfe s GLU 99 Cb -0.13 -2.23 0.03 0.00 0.26 0.00 0.00 34.13 32.06 2hfe s GLU 99 CO 0.03 0.06 0.87 0.54 -0.54 0.00 0.00 175.26 176.22 2hfe n ARG 100 N 3.84 1.08 -1.12 4.30 5.12 -1.26 -0.02 116.66 128.59 2hfe n ARG 100 Ca -0.20 -0.11 -0.04 0.00 -1.93 0.00 0.00 57.85 55.57 2hfe n ARG 100 Cb 0.52 -1.21 -0.02 0.00 -1.16 0.00 0.00 32.46 30.60 2hfe n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfe n GLY 101 N 0.30 0.68 0.25 -0.13 0.00 -1.13 -4.73 105.19 100.44 2hfe n GLY 101 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.65 2hfe n GLY 101 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hfe n ASP 102 N 0.47 2.04 0.00 1.61 5.68 -1.26 -5.03 116.55 120.05 2hfe n ASP 102 Ca -0.04 -3.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.05 2hfe n ASP 102 Cb 0.19 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 2hfe n ASP 102 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hfe n GLY 103 N -1.24 1.61 3.26 6.12 0.00 -1.26 -5.05 105.19 108.62 2hfe n GLY 103 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 2hfe n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hfe s TYR 104 N -3.24 1.55 -0.93 1.61 -0.85 -1.26 -5.07 117.35 109.17 2hfe s TYR 104 Ca 0.00 -0.48 -0.19 0.00 -0.52 0.00 0.00 57.07 55.88 2hfe s TYR 104 Cb 0.00 -0.83 0.13 0.00 0.38 0.00 0.00 41.96 41.65 2hfe s TYR 104 CO 0.00 0.18 1.12 -0.06 -1.52 0.00 0.00 175.55 175.27 2hfe s PHE 105 N -1.67 3.13 0.31 -3.49 2.99 -1.26 -4.45 117.98 113.54 2hfe s PHE 105 Ca 0.07 -1.40 0.02 0.00 0.00 0.00 0.00 56.93 55.62 2hfe s PHE 105 Cb -0.07 -4.27 0.59 0.00 0.00 0.00 0.00 43.02 39.26 2hfe s PHE 105 CO 0.04 -1.48 1.91 0.00 -0.00 0.00 0.00 175.22 175.69 2hfe h ALA 106 N 8.81 1.57 -3.09 5.36 0.00 -1.93 -3.44 119.26 126.55 2hfe h ALA 106 Ca 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2hfe h ALA 106 Cb 1.03 -0.24 -0.24 0.00 0.00 0.00 0.00 17.79 18.33 2hfe h ALA 106 CO 1.10 0.28 -0.50 0.54 0.00 0.00 0.00 179.25 180.67 2hfe s VAL 107 N -5.85 0.03 0.20 0.00 0.11 -1.24 -5.02 120.40 108.63 2hfe s VAL 107 Ca -0.11 -0.26 0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2hfe s VAL 107 Cb 0.20 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 2hfe s VAL 107 CO 0.79 -0.14 -0.21 0.26 -3.33 0.00 0.00 175.10 172.47 2hfe s TRP 108 N -0.48 2.37 0.89 1.54 0.52 -1.26 -0.62 118.94 121.91 2hfe s TRP 108 Ca -0.06 -0.33 -0.13 0.00 0.02 0.00 0.00 56.10 55.60 2hfe s TRP 108 Cb -0.04 -1.16 0.13 0.00 -1.15 0.00 0.00 33.47 31.26 2hfe s TRP 108 CO 0.01 0.52 1.20 0.20 0.02 0.00 0.00 176.95 178.90 2hfe s GLY 109 N -2.78 1.63 0.42 0.98 0.00 -0.04 -4.70 107.32 102.83 2hfe s GLY 109 Ca 0.22 -0.76 0.25 0.00 0.00 0.00 0.00 44.72 44.43 2hfe s GLY 109 CO 0.11 -0.17 1.67 0.00 0.00 0.00 0.00 173.10 174.72 2hfe h ALA 110 N -1.39 1.00 0.00 3.20 0.00 -1.90 -3.44 119.26 116.73 2hfe h ALA 110 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2hfe h ALA 110 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2hfe h ALA 110 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2hfe n GLY 111 N 1.00 1.22 3.24 0.00 0.00 -1.26 -4.99 105.19 104.40 2hfe n GLY 111 Ca 0.04 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 2hfe n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hfe s THR 112 N -1.79 3.19 -0.22 2.61 2.01 -0.90 -4.52 115.64 116.01 2hfe s THR 112 Ca 0.00 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 2hfe s THR 112 Cb 0.00 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.90 2hfe s THR 112 CO 0.00 0.18 1.04 -0.89 -0.69 0.00 0.00 174.62 174.27 2hfe s THR 113 N 1.38 4.67 -0.14 -0.82 2.01 -0.24 -1.49 115.64 121.01 2hfe s THR 113 Ca 0.01 2.02 -0.04 0.00 0.31 0.00 0.00 61.69 63.99 2hfe s THR 113 Cb -0.17 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 2hfe s THR 113 CO -0.03 -0.17 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.04 2hfe s VAL 114 N 3.16 4.19 -0.11 3.82 1.01 -0.17 -0.99 120.40 131.31 2hfe s VAL 114 Ca 0.44 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2hfe s VAL 114 Cb -0.15 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2hfe s VAL 114 CO 0.07 0.52 -0.13 -0.89 0.00 0.00 0.00 175.10 174.66 2hfe s THR 115 N 0.04 1.38 -0.42 3.92 2.01 -0.31 -1.98 115.64 120.28 2hfe s THR 115 Ca 0.02 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 2hfe s THR 115 Cb -0.13 -1.28 0.08 0.00 0.01 0.00 0.00 72.50 71.18 2hfe s THR 115 CO 0.02 0.42 0.25 -0.69 -0.69 0.00 0.00 174.62 173.93 2hfe s VAL 116 N 1.14 4.17 0.03 3.82 1.01 -1.25 -0.25 120.40 129.06 2hfe s VAL 116 Ca -0.04 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.35 2hfe s VAL 116 Cb -0.14 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.70 2hfe s VAL 116 CO -0.03 -0.51 0.34 -0.55 0.00 0.00 0.00 175.10 174.34 2hfe s SER 117 N 2.10 -0.19 0.00 3.32 0.15 0.42 -4.51 113.70 115.00 2hfe s SER 117 Ca 0.03 -0.07 0.28 0.00 0.70 0.00 0.00 55.95 56.90 2hfe s SER 117 Cb -0.23 0.37 1.14 0.00 -1.71 0.00 0.00 66.02 65.59 2hfe s SER 117 CO 0.02 -0.59 1.81 -1.20 1.20 0.00 0.00 173.24 174.48 2hfe n SER 118 N 0.72 0.43 -3.97 5.45 7.64 -1.26 -3.91 113.62 118.71 2hfe n SER 118 Ca -0.19 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2hfe n SER 118 Cb 0.59 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2hfe n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hfe n ALA 119 N -1.06 0.00 -3.08 -0.43 0.00 -1.26 -5.07 120.51 109.60 2hfe n ALA 119 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 2hfe n ALA 119 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 2hfe n ALA 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2hfe s LYS 120 N 0.00 0.30 0.59 0.00 -2.85 -1.26 -5.06 119.74 111.45 2hfe s LYS 120 Ca 0.00 0.08 -0.19 0.00 -1.00 0.00 0.00 55.97 54.86 2hfe s LYS 120 Cb 0.00 0.14 -0.05 0.00 -2.06 0.00 0.00 37.83 35.86 2hfe s LYS 120 CO 0.00 -0.05 1.00 2.41 0.10 0.00 0.00 175.35 178.81 2hfe n THR 121 N 2.54 3.70 -3.54 3.79 -1.04 -1.26 -4.75 114.28 113.72 2hfe n THR 121 Ca -0.15 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 2hfe n THR 121 Cb 0.58 -1.19 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 2hfe n THR 121 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2hfe s THR 122 N -1.48 -0.89 0.65 12.58 2.01 -0.13 -4.92 115.64 123.45 2hfe s THR 122 Ca 0.75 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.59 2hfe s THR 122 Cb -0.42 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2hfe s THR 122 CO 0.47 0.00 1.14 -2.16 -0.69 0.00 0.00 174.62 173.39 2hfe s PRO 123 N 2.81 2.78 0.61 4.92 0.04 -1.26 -1.34 135.00 143.56 2hfe s PRO 123 Ca -0.02 1.55 -0.10 0.00 0.04 0.00 0.00 61.00 62.46 2hfe s PRO 123 Cb -0.11 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2hfe s PRO 123 CO -0.19 -1.29 1.00 -1.25 0.04 0.00 0.00 177.00 175.31 2hfe s PRO 124 N -3.84 3.46 -0.28 0.56 0.04 -1.26 -4.31 135.00 129.38 2hfe s PRO 124 Ca 0.70 0.59 -0.10 0.00 0.04 0.00 0.00 61.00 62.24 2hfe s PRO 124 Cb -0.24 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2hfe s PRO 124 CO 0.39 -0.58 0.14 -1.12 0.04 0.00 0.00 177.00 175.87 2hfe s SER 125 N -4.20 5.63 -0.35 6.66 0.01 0.24 -4.87 113.70 116.82 2hfe s SER 125 Ca 0.54 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 57.50 2hfe s SER 125 Cb -0.11 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 2hfe s SER 125 CO 0.52 -0.07 0.24 -0.69 0.41 0.00 0.00 173.24 173.64 2hfe s VAL 126 N 1.69 5.17 0.09 3.43 1.01 -1.25 -1.66 120.40 128.87 2hfe s VAL 126 Ca 0.06 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2hfe s VAL 126 Cb -0.16 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2hfe s VAL 126 CO 0.08 -0.05 -0.20 -0.31 0.00 0.00 0.00 175.10 174.61 2hfe s TYR 127 N 1.70 2.48 0.69 5.22 2.02 -0.13 -4.95 117.35 124.38 2hfe s TYR 127 Ca 0.06 -0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 2hfe s TYR 127 Cb -0.18 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 2hfe s TYR 127 CO 0.10 0.32 1.08 -2.14 -1.57 0.00 0.00 175.55 173.34 2hfe s PRO 128 N -1.85 2.96 -0.31 -1.71 0.02 -1.26 -0.73 135.00 132.13 2hfe s PRO 128 Ca 0.16 0.55 -0.03 0.00 0.02 0.00 0.00 61.00 61.70 2hfe s PRO 128 Cb -0.10 -2.03 0.11 0.00 0.02 0.00 0.00 34.50 32.50 2hfe s PRO 128 CO 0.07 -0.98 0.15 -0.51 -0.33 0.00 0.00 177.00 175.41 2hfe s LEU 129 N -5.36 0.65 0.06 -5.54 1.43 -0.50 -4.73 118.68 104.69 2hfe s LEU 129 Ca 0.58 -1.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.21 2hfe s LEU 129 Cb -0.11 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 2hfe s LEU 129 CO 0.53 -0.40 -0.17 0.00 0.23 0.00 0.00 176.35 176.53 2hfe s ALA 130 N 1.81 2.65 0.76 4.21 0.00 -1.26 -1.97 121.76 127.96 2hfe s ALA 130 Ca 0.12 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 2hfe s ALA 130 Cb -0.18 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 2hfe s ALA 130 CO -0.26 0.58 0.66 -2.30 0.00 0.00 0.00 175.76 174.44 2hfe n PRO 131 N 1.32 0.25 -2.41 0.00 -0.02 -1.26 -4.91 135.00 127.96 2hfe n PRO 131 Ca -0.16 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.15 2hfe n PRO 131 Cb 0.52 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 2hfe n PRO 131 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2hfe s GLY 132 N -1.64 1.75 0.49 -1.23 0.00 -1.26 -4.57 107.32 100.87 2hfe s GLY 132 Ca 0.66 -0.19 0.32 0.00 0.00 0.00 0.00 44.72 45.51 2hfe s GLY 132 CO 0.57 0.03 1.77 1.76 0.00 0.00 0.00 173.10 177.23 2hfe h SER 133 N 0.43 0.15 1.33 1.64 0.02 -1.93 0.14 113.55 115.33 2hfe h SER 133 Ca -0.46 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2hfe h SER 133 Cb 1.19 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2hfe h SER 133 CO 0.62 0.01 -0.35 0.00 -1.14 0.00 0.00 176.83 175.97 2hfe h ALA 134 N 1.47 0.79 -1.97 3.77 0.00 -2.03 -3.46 119.26 117.82 2hfe h ALA 134 Ca 0.62 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.94 2hfe h ALA 134 Cb 2.15 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.95 2hfe h ALA 134 CO -0.13 0.00 1.35 0.00 0.00 0.00 0.00 179.25 180.47 2hfe n ALA 135 N -1.93 1.49 -2.50 0.00 0.00 0.50 -4.93 120.51 113.13 2hfe n ALA 135 Ca 0.04 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2hfe n ALA 135 Cb 0.47 -2.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 2hfe n ALA 135 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2hfe s GLN 136 N 5.46 4.43 -0.03 0.00 0.00 -1.26 -4.92 119.66 123.33 2hfe s GLN 136 Ca 0.98 1.65 -0.11 0.00 -0.00 0.00 0.00 55.36 57.88 2hfe s GLN 136 Cb -0.49 -3.45 -0.05 0.00 0.00 0.00 0.00 33.01 29.02 2hfe s GLN 136 CO 0.42 -0.29 0.31 -0.08 0.00 0.00 0.00 175.29 175.65 2hfe s THR 137 N 1.51 5.20 0.00 3.63 -1.32 -1.26 -5.09 115.64 118.32 2hfe s THR 137 Ca 0.56 0.54 0.00 0.00 -1.21 0.00 0.00 61.69 61.58 2hfe s THR 137 Cb -0.26 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.14 2hfe s THR 137 CO 0.26 0.54 0.00 -3.20 -2.21 0.00 0.00 174.62 170.01 2hfe n ASN 138 N 1.70 0.00 0.01 8.08 2.85 -1.26 -4.94 115.26 121.69 2hfe n ASN 138 Ca -0.15 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.42 2hfe n ASN 138 Cb 0.53 0.00 0.43 0.00 1.24 0.00 0.00 39.78 41.98 2hfe n ASN 138 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2hfe n SER 139 N 0.00 0.04 -4.13 1.20 2.88 -1.26 -4.68 113.62 107.68 2hfe n SER 139 Ca 0.00 0.51 -0.09 0.00 -1.33 0.00 0.00 58.87 57.96 2hfe n SER 139 Cb 0.00 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.84 2hfe n SER 139 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2hfe s MET 140 N -3.01 0.80 0.06 -1.46 -1.94 -1.26 -2.23 119.30 110.26 2hfe s MET 140 Ca 0.10 -1.35 0.04 0.00 -1.71 0.00 0.00 55.69 52.76 2hfe s MET 140 Cb 0.13 0.23 -0.03 0.00 2.01 0.00 0.00 34.83 37.17 2hfe s MET 140 CO 0.37 -0.20 -0.12 0.54 -0.01 0.00 0.00 175.02 175.60 2hfe s VAL 141 N -4.00 0.90 -0.09 -6.03 0.11 -0.32 -4.53 120.40 106.44 2hfe s VAL 141 Ca 0.17 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 2hfe s VAL 141 Cb 0.08 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2hfe s VAL 141 CO -0.03 -0.28 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.40 2hfe s THR 142 N -1.30 2.71 0.42 5.04 2.01 -1.26 -1.74 115.64 121.52 2hfe s THR 142 Ca -0.05 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.18 2hfe s THR 142 Cb -0.10 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2hfe s THR 142 CO 0.02 0.55 0.11 -0.76 -0.69 0.00 0.00 174.62 173.85 2hfe s LEU 143 N 0.01 2.05 0.00 4.42 1.43 -0.10 -4.61 118.68 121.87 2hfe s LEU 143 Ca -0.06 -1.67 -0.18 0.00 -1.03 0.00 0.00 54.13 51.19 2hfe s LEU 143 Cb -0.15 -0.20 0.06 0.00 0.03 0.00 0.00 46.19 45.93 2hfe s LEU 143 CO 0.05 -0.92 0.84 0.61 0.23 0.00 0.00 176.35 177.16 2hfe n GLY 144 N -0.96 0.57 3.15 -3.19 0.00 -0.83 -1.14 105.19 102.79 2hfe n GLY 144 Ca -0.08 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2hfe n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfe s LEU 146 N 0.17 4.12 -0.26 0.00 2.96 0.09 -2.12 118.68 123.64 2hfe s LEU 146 Ca -0.00 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 2hfe s LEU 146 Cb -0.02 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.45 2hfe s LEU 146 CO 0.00 -0.01 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.25 2hfe s VAL 147 N 1.24 2.40 0.07 1.68 1.01 0.98 -0.96 120.40 126.83 2hfe s VAL 147 Ca 0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 2hfe s VAL 147 Cb -0.14 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2hfe s VAL 147 CO 0.06 0.00 0.06 -1.59 0.00 0.00 0.00 175.10 173.64 2hfe s LYS 148 N 1.16 0.73 0.00 2.72 -2.85 -0.67 -0.26 119.74 120.58 2hfe s LYS 148 Ca -0.07 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 2hfe s LYS 148 Cb -0.19 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 2hfe s LYS 148 CO -0.05 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.63 2hfe n GLY 149 N 0.03 0.61 3.86 0.59 0.00 -0.88 0.82 105.19 110.22 2hfe n GLY 149 Ca -0.13 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 2hfe n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hfe s TYR 150 N -2.00 3.23 -0.28 1.61 -0.85 -1.14 -4.56 117.35 113.37 2hfe s TYR 150 Ca 0.00 -0.04 -0.22 0.00 -0.52 0.00 0.00 57.07 56.28 2hfe s TYR 150 Cb 0.00 -1.50 0.11 0.00 0.38 0.00 0.00 41.96 40.95 2hfe s TYR 150 CO 0.00 0.50 0.92 0.12 -1.52 0.00 0.00 175.55 175.58 2hfe s PHE 151 N -1.96 -0.62 0.33 -3.49 5.36 -0.45 0.26 117.98 117.41 2hfe s PHE 151 Ca 0.33 1.42 0.04 0.00 -0.96 0.00 0.00 56.93 57.75 2hfe s PHE 151 Cb -0.09 0.37 0.06 0.00 -0.34 0.00 0.00 43.02 43.02 2hfe s PHE 151 CO 0.26 -0.30 0.45 -0.35 -1.46 0.00 0.00 175.22 173.82 2hfe n PRO 152 N 2.79 0.64 -1.30 10.12 -0.04 -1.26 -0.95 135.00 145.01 2hfe n PRO 152 Ca -0.15 -1.61 -0.32 0.00 -0.04 0.00 0.00 63.50 61.38 2hfe n PRO 152 Cb 0.56 -0.19 0.10 0.00 -0.04 0.00 0.00 33.50 33.94 2hfe n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hfe s GLU 153 N -3.51 2.06 0.00 0.54 0.41 -1.26 -4.81 118.70 112.13 2hfe s GLU 153 Ca 0.33 1.49 0.00 0.00 -0.41 0.00 0.00 54.97 56.38 2hfe s GLU 153 Cb -0.02 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 2hfe s GLU 153 CO 0.21 -1.84 0.00 -0.35 -0.49 0.00 0.00 175.26 172.80 2hfe n PRO 154 N -3.19 2.33 -3.89 0.39 -0.04 -1.26 -4.86 135.00 124.49 2hfe n PRO 154 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2hfe n PRO 154 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 2hfe n PRO 154 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hfe s VAL 155 N 0.30 0.05 -0.22 0.52 -7.23 -1.26 -4.36 120.40 108.21 2hfe s VAL 155 Ca 0.00 -0.40 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 2hfe s VAL 155 Cb 0.00 -0.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.71 2hfe s VAL 155 CO 0.00 -0.22 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.63 2hfe s THR 156 N -0.68 3.33 -0.19 5.32 2.01 -0.01 -4.95 115.64 120.47 2hfe s THR 156 Ca -0.08 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 2hfe s THR 156 Cb -0.05 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2hfe s THR 156 CO 0.00 0.43 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 2hfe s VAL 157 N 1.43 3.19 0.26 3.82 1.01 -1.26 -0.85 120.40 128.01 2hfe s VAL 157 Ca 0.05 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2hfe s VAL 157 Cb -0.14 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2hfe s VAL 157 CO -0.03 0.46 -0.10 0.42 0.00 0.00 0.00 175.10 175.85 2hfe s THR 158 N 1.17 1.80 -0.17 3.92 -4.23 -0.05 -4.98 115.64 113.11 2hfe s THR 158 Ca 0.02 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.35 2hfe s THR 158 Cb -0.14 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2hfe s THR 158 CO -0.02 -0.39 -0.18 0.26 -0.54 0.00 0.00 174.62 173.74 2hfe s TRP 159 N -2.92 2.58 -1.36 3.99 0.52 -1.26 -0.45 118.94 120.04 2hfe s TRP 159 Ca 0.28 -1.50 -0.07 0.00 0.02 0.00 0.00 56.10 54.83 2hfe s TRP 159 Cb 0.01 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.55 2hfe s TRP 159 CO 0.11 -0.75 1.03 0.09 0.02 0.00 0.00 176.95 177.45 2hfe n ASN 160 N 4.62 -4.34 -3.56 2.95 3.02 0.20 -2.08 115.26 116.07 2hfe n ASN 160 Ca -0.20 -0.66 -0.20 0.00 -0.03 0.00 0.00 54.58 53.50 2hfe n ASN 160 Cb 0.50 -4.63 0.06 0.00 -0.61 0.00 0.00 39.78 35.09 2hfe n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2hfe n SER 161 N -3.00 -2.28 0.00 6.41 7.64 -1.26 -2.14 113.62 118.98 2hfe n SER 161 Ca -0.09 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.03 2hfe n SER 161 Cb 0.59 -4.49 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 2hfe n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hfe n GLY 162 N -1.40 2.71 0.40 0.23 0.00 -1.07 -4.83 105.19 101.24 2hfe n GLY 162 Ca -0.26 0.00 0.19 0.00 0.00 0.00 0.00 46.02 45.95 2hfe n GLY 162 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2hfe h SER 163 N 0.00 0.00 -3.86 1.61 0.87 -1.40 -3.28 113.55 107.50 2hfe h SER 163 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 2hfe h SER 163 Cb 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.56 2hfe h SER 163 CO 0.00 0.00 -0.70 -0.22 -0.53 0.00 0.00 176.83 175.38 2hfe s LEU 164 N -6.55 4.40 -0.25 2.23 2.96 -0.89 -4.97 118.68 115.61 2hfe s LEU 164 Ca -0.03 -2.40 -0.14 0.00 -0.22 0.00 0.00 54.13 51.33 2hfe s LEU 164 Cb 0.12 -1.56 -0.11 0.00 0.50 0.00 0.00 46.19 45.14 2hfe s LEU 164 CO 0.41 -0.33 -0.35 -1.20 -1.32 0.00 0.00 176.35 173.56 2hfe n SER 165 N 3.91 1.90 -4.77 3.68 7.64 -1.24 -4.36 113.62 120.39 2hfe n SER 165 Ca 0.04 0.33 -0.38 0.00 1.01 0.00 0.00 58.87 59.87 2hfe n SER 165 Cb 0.39 -0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 62.80 2hfe n SER 165 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2hfe s SER 166 N -7.14 6.20 0.00 6.43 1.04 -1.26 -2.34 113.70 116.63 2hfe s SER 166 Ca -0.36 2.38 0.00 0.00 0.48 0.00 0.00 55.95 58.45 2hfe s SER 166 Cb 0.12 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2hfe s SER 166 CO 0.46 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2hfe n GLY 167 N 0.53 0.84 3.87 7.32 0.00 -1.26 -4.75 105.19 111.73 2hfe n GLY 167 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2hfe n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfe s VAL 168 N -2.78 5.38 -0.17 1.61 1.01 -0.99 -1.31 120.40 123.16 2hfe s VAL 168 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 2hfe s VAL 168 Cb 0.00 -3.37 0.08 0.00 0.00 0.00 0.00 36.38 33.08 2hfe s VAL 168 CO 0.00 0.55 0.21 -1.00 0.00 0.00 0.00 175.10 174.86 2hfe s HIS 169 N -1.08 -0.26 -0.28 5.22 3.76 -0.17 -4.97 115.29 117.51 2hfe s HIS 169 Ca 0.18 0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 55.38 2hfe s HIS 169 Cb -0.12 -0.31 -0.02 0.00 1.11 0.00 0.00 32.58 33.24 2hfe s HIS 169 CO 0.07 -0.50 0.12 0.99 -0.85 0.00 0.00 174.74 174.58 2hfe s THR 170 N 2.33 4.58 0.57 1.30 2.01 -1.26 -0.26 115.64 124.91 2hfe s THR 170 Ca 0.05 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 61.64 2hfe s THR 170 Cb -0.14 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2hfe s THR 170 CO -0.10 0.20 1.07 -0.36 -0.69 0.00 0.00 174.62 174.74 2hfe s PHE 171 N 1.63 2.90 0.55 4.92 0.08 -0.13 -4.98 117.98 122.95 2hfe s PHE 171 Ca 0.06 1.54 -0.21 0.00 0.12 0.00 0.00 56.93 58.43 2hfe s PHE 171 Cb -0.16 -3.08 -0.05 0.00 -0.57 0.00 0.00 43.02 39.16 2hfe s PHE 171 CO 0.06 -1.19 1.27 -2.14 -0.10 0.00 0.00 175.22 173.13 2hfe s PRO 172 N -3.79 3.18 0.60 0.24 0.02 -1.26 -4.47 135.00 129.52 2hfe s PRO 172 Ca 0.66 2.02 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 2hfe s PRO 172 Cb -0.18 -2.17 -0.03 0.00 0.02 0.00 0.00 34.50 32.14 2hfe s PRO 172 CO 0.32 -1.09 1.10 0.00 -0.33 0.00 0.00 177.00 177.01 2hfe s ALA 173 N -1.43 2.62 -0.03 -1.55 0.00 -1.26 -4.82 121.76 115.28 2hfe s ALA 173 Ca 0.72 0.62 0.07 0.00 0.00 0.00 0.00 51.96 53.37 2hfe s ALA 173 Cb -0.35 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2hfe s ALA 173 CO 0.41 -0.96 -0.24 0.14 0.00 0.00 0.00 175.76 175.11 2hfe s VAL 174 N -2.13 2.22 -0.26 0.00 -7.23 -0.67 -4.92 120.40 107.41 2hfe s VAL 174 Ca 0.68 -1.03 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 2hfe s VAL 174 Cb -0.21 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2hfe s VAL 174 CO 0.34 0.58 0.12 -0.22 -0.31 0.00 0.00 175.10 175.61 2hfe s LEU 175 N -0.51 3.73 -0.12 1.32 2.96 -1.26 -1.89 118.68 122.90 2hfe s LEU 175 Ca 0.07 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 2hfe s LEU 175 Cb -0.11 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.62 2hfe s LEU 175 CO 0.00 -0.03 0.10 -1.58 -1.32 0.00 0.00 176.35 173.53 2hfe s GLN 176 N 1.58 0.02 -0.83 1.98 0.74 -0.78 -4.93 119.66 117.43 2hfe s GLN 176 Ca 0.06 0.15 -0.02 0.00 0.05 0.00 0.00 55.36 55.60 2hfe s GLN 176 Cb -0.15 -1.21 -0.02 0.00 1.10 0.00 0.00 33.01 32.72 2hfe s GLN 176 CO 0.07 -0.53 0.75 0.43 -0.55 0.00 0.00 175.29 175.46 2hfe n SER 177 N 5.29 -7.32 -2.30 6.67 7.64 -1.26 -3.14 113.62 119.20 2hfe n SER 177 Ca -0.05 -0.30 -0.06 0.00 1.01 0.00 0.00 58.87 59.47 2hfe n SER 177 Cb 0.49 -5.09 -0.01 0.00 -1.01 0.00 0.00 64.21 58.60 2hfe n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2hfe n ASP 178 N -2.20 -2.35 -3.82 6.43 10.43 -1.26 -4.92 116.55 118.85 2hfe n ASP 178 Ca -0.03 0.32 -0.12 0.00 2.57 0.00 0.00 54.79 57.52 2hfe n ASP 178 Cb 0.54 -2.12 -0.12 0.00 1.84 0.00 0.00 41.12 41.26 2hfe n ASP 178 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2hfe s LEU 179 N -4.99 1.39 0.13 0.64 1.43 -1.19 -4.80 118.68 111.29 2hfe s LEU 179 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2hfe s LEU 179 Cb 0.00 0.57 -0.04 0.00 0.03 0.00 0.00 46.19 46.76 2hfe s LEU 179 CO 0.00 -0.08 0.24 -0.31 0.23 0.00 0.00 176.35 176.43 2hfe s TYR 180 N -0.02 3.44 -0.08 0.29 1.51 0.14 -1.87 117.35 120.76 2hfe s TYR 180 Ca -0.01 0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 56.12 2hfe s TYR 180 Cb -0.02 -1.66 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 2hfe s TYR 180 CO 0.00 0.53 0.19 0.99 -1.11 0.00 0.00 175.55 176.15 2hfe s THR 181 N -1.69 -0.02 0.21 -0.71 2.01 -0.79 -2.08 115.64 112.58 2hfe s THR 181 Ca 0.34 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.27 2hfe s THR 181 Cb -0.11 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.12 2hfe s THR 181 CO 0.28 0.03 0.45 -1.48 -0.69 0.00 0.00 174.62 173.20 2hfe s LEU 182 N 0.52 0.40 0.03 4.42 0.05 0.64 -1.67 118.68 123.06 2hfe s LEU 182 Ca -0.03 -0.77 0.02 0.00 0.05 0.00 0.00 54.13 53.40 2hfe s LEU 182 Cb -0.05 1.76 -0.02 0.00 -2.05 0.00 0.00 46.19 45.83 2hfe s LEU 182 CO -0.03 -1.05 -0.07 -0.44 -0.55 0.00 0.00 176.35 174.21 2hfe s SER 183 N -2.96 0.78 0.12 1.48 0.01 -1.26 -0.02 113.70 111.85 2hfe s SER 183 Ca 0.17 -0.40 0.11 0.00 1.31 0.00 0.00 55.95 57.14 2hfe s SER 183 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2hfe s SER 183 CO 0.03 -0.11 -0.26 -0.55 0.41 0.00 0.00 173.24 172.75 2hfe s SER 184 N -1.09 3.24 0.08 2.44 0.15 -0.90 -0.96 113.70 116.67 2hfe s SER 184 Ca -0.06 -0.74 0.05 0.00 0.70 0.00 0.00 55.95 55.90 2hfe s SER 184 Cb -0.07 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2hfe s SER 184 CO 0.00 0.17 -0.13 -0.94 1.20 0.00 0.00 173.24 173.54 2hfe s SER 185 N -2.00 1.68 0.00 5.45 1.04 0.64 -1.78 113.70 118.72 2hfe s SER 185 Ca 0.13 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 2hfe s SER 185 Cb -0.10 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.97 2hfe s SER 185 CO 0.06 -0.12 0.01 0.54 0.98 0.00 0.00 173.24 174.71 2hfe s VAL 186 N -1.64 0.04 -0.15 5.02 0.11 -0.29 -0.99 120.40 122.50 2hfe s VAL 186 Ca 0.01 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2hfe s VAL 186 Cb -0.08 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.67 2hfe s VAL 186 CO 0.02 -0.16 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.60 2hfe s THR 187 N -0.47 1.58 0.23 5.04 2.01 -0.42 -0.93 115.64 122.67 2hfe s THR 187 Ca -0.05 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.40 2hfe s THR 187 Cb -0.03 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 2hfe s THR 187 CO -0.00 0.46 -0.16 0.68 -0.69 0.00 0.00 174.62 174.91 2hfe s VAL 188 N 1.44 1.94 0.24 3.82 -7.23 -0.71 -4.63 120.40 115.27 2hfe s VAL 188 Ca 0.04 -2.26 -0.31 0.00 -1.81 0.00 0.00 61.98 57.63 2hfe s VAL 188 Cb -0.13 -2.13 -0.12 0.00 0.56 0.00 0.00 36.38 34.55 2hfe s VAL 188 CO -0.10 -0.53 1.57 -2.65 -0.31 0.00 0.00 175.10 173.08 2hfe n PRO 189 N -0.46 2.47 -0.32 4.82 -0.02 -1.26 -1.18 135.00 139.05 2hfe n PRO 189 Ca -0.07 0.88 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 2hfe n PRO 189 Cb 0.60 -2.65 0.28 0.00 -0.02 0.00 0.00 33.50 31.71 2hfe n PRO 189 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hfe h SER 190 N 5.24 0.62 0.19 2.55 4.64 -1.68 -1.56 113.55 123.54 2hfe h SER 190 Ca -0.45 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 2hfe h SER 190 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2hfe h SER 190 CO 0.83 0.22 -0.12 0.77 -0.87 0.00 0.00 176.83 177.66 2hfe h SER 191 N 0.66 0.00 0.34 4.97 4.64 -1.89 -2.76 113.55 119.51 2hfe h SER 191 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2hfe h SER 191 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2hfe h SER 191 CO -0.39 0.12 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.07 2hfe n SER 192 N -4.08 0.37 -4.19 4.97 3.41 -0.59 -4.74 113.62 108.78 2hfe n SER 192 Ca -0.02 -0.59 -0.25 0.00 -0.26 0.00 0.00 58.87 57.75 2hfe n SER 192 Cb 0.20 -0.10 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 2hfe n SER 192 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2hfe s TRP 193 N -2.42 1.61 -1.22 7.33 -0.00 -1.04 -1.53 118.94 121.68 2hfe s TRP 193 Ca 0.31 -0.33 0.09 0.00 -0.00 0.00 0.00 56.10 56.18 2hfe s TRP 193 Cb 0.20 -1.01 0.37 0.00 -0.00 0.00 0.00 33.47 33.04 2hfe s TRP 193 CO 0.45 0.01 1.19 -0.35 -0.00 0.00 0.00 176.95 178.25 2hfe n PRO 194 N 2.36 2.48 0.26 5.86 -0.04 -1.26 -4.93 135.00 139.72 2hfe n PRO 194 Ca -0.16 -1.47 0.16 0.00 -0.04 0.00 0.00 63.50 62.00 2hfe n PRO 194 Cb 0.54 -1.63 0.89 0.00 -0.04 0.00 0.00 33.50 33.26 2hfe n PRO 194 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2hfe h SER 195 N 2.07 0.00 -3.31 3.54 4.64 -1.85 -3.35 113.55 115.28 2hfe h SER 195 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 2hfe h SER 195 Cb 0.92 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.65 2hfe h SER 195 CO 0.14 0.00 -0.84 -1.61 -0.87 0.00 0.00 176.83 173.65 2hfe s GLU 196 N -4.60 2.68 0.51 4.77 2.02 -0.58 -5.10 118.70 118.39 2hfe s GLU 196 Ca -0.05 -0.96 -0.20 0.00 0.02 0.00 0.00 54.97 53.78 2hfe s GLU 196 Cb 0.15 -2.62 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 2hfe s GLU 196 CO 0.54 -0.33 0.59 2.41 0.02 0.00 0.00 175.26 178.49 2hfe n THR 197 N 4.58 2.15 -3.60 3.63 -1.04 -1.26 -4.67 114.28 114.07 2hfe n THR 197 Ca -0.18 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.05 2hfe n THR 197 Cb 0.48 -0.70 -0.16 0.00 -1.82 0.00 0.00 70.33 68.12 2hfe n THR 197 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hfe s VAL 198 N -1.59 0.04 0.06 12.58 1.01 -1.26 -5.03 120.40 126.21 2hfe s VAL 198 Ca 0.67 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.24 2hfe s VAL 198 Cb -0.50 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2hfe s VAL 198 CO 0.56 -0.47 -0.25 -0.89 0.00 0.00 0.00 175.10 174.05 2hfe s THR 199 N 2.07 2.26 -0.22 3.92 2.01 -1.26 -1.39 115.64 123.03 2hfe s THR 199 Ca 0.05 -1.44 -0.05 0.00 0.31 0.00 0.00 61.69 60.55 2hfe s THR 199 Cb -0.16 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2hfe s THR 199 CO -0.20 0.30 0.01 0.00 -0.69 0.00 0.00 174.62 174.04 2hfe s ASN 201 N 1.22 6.17 -0.19 0.00 -0.87 0.40 -1.67 114.94 119.99 2hfe s ASN 201 Ca 0.03 0.18 0.01 0.00 -1.57 0.00 0.00 52.86 51.51 2hfe s ASN 201 Cb -0.15 -2.11 0.03 0.00 -0.02 0.00 0.00 41.25 39.01 2hfe s ASN 201 CO 0.01 0.10 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.79 2hfe s VAL 202 N 0.84 1.94 -0.12 1.60 1.01 -0.01 -0.87 120.40 124.80 2hfe s VAL 202 Ca 0.08 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2hfe s VAL 202 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2hfe s VAL 202 CO 0.03 0.38 -0.04 0.00 0.00 0.00 0.00 175.10 175.46 2hfe s ALA 203 N 1.30 3.03 -0.53 5.51 0.00 -0.03 -0.65 121.76 130.40 2hfe s ALA 203 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2hfe s ALA 203 Cb -0.15 -1.43 0.16 0.00 0.00 0.00 0.00 23.12 21.70 2hfe s ALA 203 CO -0.11 0.39 0.37 -1.58 0.00 0.00 0.00 175.76 174.83 2hfe s HIS 204 N -0.21 2.29 0.31 0.00 2.46 -1.16 -0.83 115.29 118.14 2hfe s HIS 204 Ca 0.04 -2.74 0.02 0.00 0.47 0.00 0.00 55.06 52.85 2hfe s HIS 204 Cb -0.13 -1.88 0.77 0.00 -0.13 0.00 0.00 32.58 31.21 2hfe s HIS 204 CO 0.02 -0.71 1.58 -1.35 -2.47 0.00 0.00 174.74 171.81 2hfe h PRO 205 N 5.88 0.02 0.00 2.88 0.11 -1.88 -1.82 132.00 137.19 2hfe h PRO 205 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2hfe h PRO 205 Cb 0.86 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2hfe h PRO 205 CO 0.53 0.01 0.17 0.00 -0.21 0.00 0.00 178.00 178.50 2hfe h ALA 206 N 1.97 1.15 0.00 -0.75 0.00 -1.86 -1.87 119.26 117.90 2hfe h ALA 206 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2hfe h ALA 206 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2hfe h ALA 206 CO -0.90 -0.15 -0.20 -1.13 0.00 0.00 0.00 179.25 176.87 2hfe n SER 207 N -2.57 0.64 -4.13 0.00 3.41 -0.71 -4.96 113.62 105.30 2hfe n SER 207 Ca -0.02 -1.88 -0.31 0.00 -0.26 0.00 0.00 58.87 56.40 2hfe n SER 207 Cb 0.21 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 2hfe n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hfe n SER 208 N -0.30 -0.50 -3.74 4.04 7.64 -0.70 -4.91 113.62 115.14 2hfe n SER 208 Ca 0.03 -1.18 -0.30 0.00 1.01 0.00 0.00 58.87 58.43 2hfe n SER 208 Cb 0.57 -2.16 -0.14 0.00 -1.01 0.00 0.00 64.21 61.47 2hfe n SER 208 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2hfe s THR 209 N -4.08 1.25 -0.14 0.44 -4.23 -1.17 -5.02 115.64 102.70 2hfe s THR 209 Ca 0.10 -2.12 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 2hfe s THR 209 Cb -0.05 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 2hfe s THR 209 CO 0.95 -0.80 0.27 -0.75 -0.54 0.00 0.00 174.62 173.76 2hfe s LYS 210 N 0.85 4.10 0.01 3.99 2.20 -1.26 -2.98 119.74 126.65 2hfe s LYS 210 Ca 0.14 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.84 2hfe s LYS 210 Cb -0.22 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2hfe s LYS 210 CO -0.09 0.37 -0.03 0.14 -0.36 0.00 0.00 175.35 175.38 2hfe s VAL 211 N 0.07 0.20 0.42 4.02 -7.23 0.18 -4.99 120.40 113.08 2hfe s VAL 211 Ca 0.16 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.91 2hfe s VAL 211 Cb -0.13 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.57 2hfe s VAL 211 CO 0.05 -0.18 0.59 -1.81 -0.31 0.00 0.00 175.10 173.44 2hfe s ASP 212 N -0.69 5.71 -0.30 4.85 1.01 -1.26 -0.83 116.67 125.17 2hfe s ASP 212 Ca -0.06 -0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.06 2hfe s ASP 212 Cb -0.05 -1.02 0.19 0.00 1.01 0.00 0.00 42.92 43.06 2hfe s ASP 212 CO -0.00 -0.72 0.63 -0.75 0.21 0.00 0.00 175.17 174.54 2hfe s LYS 213 N -4.40 0.53 0.31 8.23 2.47 -0.67 -4.95 119.74 121.26 2hfe s LYS 213 Ca 0.51 0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 55.37 2hfe s LYS 213 Cb -0.10 0.38 -0.10 0.00 -1.46 0.00 0.00 37.83 36.56 2hfe s LYS 213 CO 0.34 -0.79 1.17 0.21 0.16 0.00 0.00 175.35 176.44 2hfe s LYS 214 N 2.85 4.47 -0.39 4.03 2.20 -1.26 -1.56 119.74 130.08 2hfe s LYS 214 Ca 0.15 1.93 -0.08 0.00 -0.36 0.00 0.00 55.97 57.61 2hfe s LYS 214 Cb -0.12 -3.07 0.07 0.00 -1.51 0.00 0.00 37.83 33.19 2hfe s LYS 214 CO -0.23 0.02 0.21 0.42 -0.36 0.00 0.00 175.35 175.40 2hfe s ILE 215 N -1.20 4.05 0.27 5.43 -1.09 -0.49 -4.90 121.20 123.28 2hfe s ILE 215 Ca 0.48 -1.34 0.11 0.00 -2.23 0.00 0.00 60.65 57.66 2hfe s ILE 215 Cb -0.34 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 2hfe s ILE 215 CO 0.44 -0.41 -0.09 0.68 -1.23 0.00 0.00 174.94 174.33 2hfe s VAL 216 N 1.40 3.01 0.82 2.92 -7.23 -1.26 -4.63 120.40 115.43 2hfe s VAL 216 Ca 0.02 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 2hfe s VAL 216 Cb -0.22 -2.60 0.09 0.00 0.56 0.00 0.00 36.38 34.21 2hfe s VAL 216 CO 0.02 -0.39 1.13 -2.16 -0.31 0.00 0.00 175.10 173.40 2hfe s PRO 217 N -3.60 1.76 0.28 4.82 0.04 -1.26 -4.76 135.00 132.28 2hfe s PRO 217 Ca 0.31 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2hfe s PRO 217 Cb -0.06 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2hfe s PRO 217 CO 0.18 -2.05 1.03 1.03 0.04 0.00 0.00 177.00 177.22 2hfe s ARG 218 N -4.61 4.67 0.00 4.56 0.52 -1.26 -5.11 118.95 117.72 2hfe s ARG 218 Ca 0.66 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 2hfe s ARG 218 Cb -0.21 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.12 2hfe s ARG 218 CO 0.54 0.30 0.00 -0.40 0.02 0.00 0.00 175.30 175.76