#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhn s SER 12 N 0.00 4.49 0.14 1.61 1.04 -1.26 -5.08 113.70 114.64 1xhn s SER 12 Ca 0.00 -1.03 -0.31 0.00 0.48 0.00 0.00 55.95 55.09 1xhn s SER 12 Cb 0.00 -0.50 -0.09 0.00 0.10 0.00 0.00 66.02 65.53 1xhn s SER 12 CO 0.00 -0.54 1.43 -0.22 0.98 0.00 0.00 173.24 174.89 1xhn s LEU 13 N -3.92 4.37 0.98 2.42 2.96 -1.26 -4.99 118.68 119.24 1xhn s LEU 13 Ca 0.42 2.42 -0.11 0.00 -0.22 0.00 0.00 54.13 56.64 1xhn s LEU 13 Cb 0.03 -3.59 0.18 0.00 0.50 0.00 0.00 46.19 43.30 1xhn s LEU 13 CO 0.23 -0.69 1.10 -2.84 -1.32 0.00 0.00 176.35 172.83 1xhn s PRO 14 N 0.92 0.54 0.15 0.98 0.02 -1.26 -4.92 135.00 131.43 1xhn s PRO 14 Ca 0.65 1.20 -0.34 0.00 0.02 0.00 0.00 61.00 62.53 1xhn s PRO 14 Cb -0.39 -1.70 -0.15 0.00 0.02 0.00 0.00 34.50 32.28 1xhn s PRO 14 CO 0.32 -2.84 1.34 -2.30 -0.33 0.00 0.00 177.00 173.19 1xhn n PRO 15 N -4.34 1.46 0.26 5.54 -0.02 -1.26 -4.84 135.00 131.79 1xhn n PRO 15 Ca 0.08 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 1xhn n PRO 15 Cb 0.53 -2.15 0.71 0.00 -0.02 0.00 0.00 33.50 32.57 1xhn n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xhn h ARG 16 N 4.40 0.00 0.00 -0.52 3.08 -1.92 -0.57 114.38 118.85 1xhn h ARG 16 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1xhn h ARG 16 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1xhn h ARG 16 CO 0.77 0.11 0.00 1.05 -1.07 0.00 0.00 179.97 180.83 1xhn h GLU 17 N 0.00 0.00 -4.08 0.04 4.11 -1.95 -3.35 114.58 109.35 1xhn h GLU 17 Ca -0.00 0.00 -0.76 0.00 0.07 0.00 0.00 59.36 58.67 1xhn h GLU 17 Cb 0.44 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.49 1xhn h GLU 17 CO 0.01 0.00 1.30 -0.25 0.07 0.00 0.00 179.01 180.15 1xhn n ASP 18 N -2.42 5.36 -0.21 3.06 8.00 -0.22 -4.84 116.55 125.28 1xhn n ASP 18 Ca 0.03 -3.06 -0.02 0.00 0.71 0.00 0.00 54.79 52.44 1xhn n ASP 18 Cb 0.29 -1.49 0.18 0.00 -0.02 0.00 0.00 41.12 40.08 1xhn n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xhn h ALA 19 N 6.57 1.27 -0.40 2.24 0.00 -1.82 -0.71 119.26 126.41 1xhn h ALA 19 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xhn h ALA 19 Cb 0.79 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xhn h ALA 19 CO 1.30 0.56 0.26 0.00 0.00 0.00 0.00 179.25 181.37 1xhn h ALA 20 N 1.37 0.50 -0.31 0.00 0.00 -1.93 0.23 119.26 119.13 1xhn h ALA 20 Ca 0.24 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1xhn h ALA 20 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xhn h ALA 20 CO -0.03 -0.04 -0.45 0.00 0.00 0.00 0.00 179.25 178.74 1xhn h ARG 21 N 0.53 0.79 -0.53 0.00 3.08 -1.62 -2.50 114.38 114.13 1xhn h ARG 21 Ca 0.14 -0.44 0.03 0.00 0.07 0.00 0.00 59.98 59.78 1xhn h ARG 21 Cb -0.06 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1xhn h ARG 21 CO -0.03 1.07 0.31 0.28 -1.07 0.00 0.00 179.97 180.53 1xhn h VAL 22 N 0.63 1.04 -0.35 2.04 2.07 -0.97 -1.31 116.25 119.41 1xhn h VAL 22 Ca 0.04 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1xhn h VAL 22 Cb 1.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xhn h VAL 22 CO 0.10 0.11 0.22 0.00 0.02 0.00 0.00 177.57 178.02 1xhn h ALA 23 N 1.24 0.44 -0.76 1.67 0.00 -0.28 -0.82 119.26 120.75 1xhn h ALA 23 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1xhn h ALA 23 Cb 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1xhn h ALA 23 CO -0.11 -0.08 0.37 0.00 0.00 0.00 0.00 179.25 179.44 1xhn h ARG 24 N 0.46 1.08 -0.31 0.00 2.47 -1.34 -1.63 114.38 115.11 1xhn h ARG 24 Ca 0.13 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1xhn h ARG 24 Cb -0.02 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 1xhn h ARG 24 CO -0.03 0.83 0.18 0.35 0.56 0.00 0.00 179.97 181.87 1xhn h PHE 25 N 1.08 0.42 -0.09 3.04 3.04 -0.69 -0.23 116.94 123.50 1xhn h PHE 25 Ca 0.26 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.21 1xhn h PHE 25 Cb 0.10 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 1xhn h PHE 25 CO 0.01 0.32 0.05 0.28 -2.02 0.00 0.00 178.31 176.95 1xhn h VAL 26 N 0.40 1.07 -0.07 1.41 2.07 -0.79 -1.50 116.25 118.83 1xhn h VAL 26 Ca 0.11 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xhn h VAL 26 Cb 0.03 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1xhn h VAL 26 CO -0.02 0.06 -0.14 0.74 0.02 0.00 0.00 177.57 178.22 1xhn h THR 27 N 0.07 0.63 -0.85 2.57 2.02 -1.22 -1.84 112.91 114.29 1xhn h THR 27 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1xhn h THR 27 Cb 0.05 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1xhn h THR 27 CO -0.01 0.00 0.52 -0.74 0.37 0.00 0.00 175.52 175.66 1xhn h HIS 28 N -0.20 1.12 0.00 3.16 -0.00 -0.90 -2.82 115.15 115.50 1xhn h HIS 28 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1xhn h HIS 28 Cb 0.31 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1xhn h HIS 28 CO -0.23 0.74 -0.03 -0.39 -0.00 0.00 0.00 177.93 178.02 1xhn h VAL 29 N 1.18 0.00 -3.70 5.26 -1.51 -0.95 -3.46 116.25 113.06 1xhn h VAL 29 Ca 0.31 -0.69 -0.50 0.00 -1.23 0.00 0.00 66.70 64.59 1xhn h VAL 29 Cb -0.06 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1xhn h VAL 29 CO -0.06 0.00 0.37 -0.44 -1.23 0.00 0.00 177.57 176.21 1xhn s SER 30 N -5.20 7.57 0.00 4.19 0.01 -0.72 -4.94 113.70 114.61 1xhn s SER 30 Ca 0.09 1.95 0.20 0.00 1.31 0.00 0.00 55.95 59.50 1xhn s SER 30 Cb 0.09 -2.61 -0.22 0.00 0.21 0.00 0.00 66.02 63.50 1xhn s SER 30 CO 0.63 0.07 0.88 0.47 0.41 0.00 0.00 173.24 175.70 1xhn n ASP 31 N 1.80 0.98 -3.66 2.44 8.00 -1.26 -4.72 116.55 120.13 1xhn n ASP 31 Ca -0.01 -0.99 -0.09 0.00 0.71 0.00 0.00 54.79 54.41 1xhn n ASP 31 Cb 0.47 1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.54 1xhn n ASP 31 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1xhn s TRP 32 N -2.94 0.22 0.24 1.24 1.48 -1.26 -1.82 118.94 116.09 1xhn s TRP 32 Ca 0.08 -0.66 -0.21 0.00 -1.06 0.00 0.00 56.10 54.25 1xhn s TRP 32 Cb 0.16 0.45 0.06 0.00 -1.16 0.00 0.00 33.47 32.98 1xhn s TRP 32 CO 0.84 -1.20 0.90 0.20 -4.06 0.00 0.00 176.95 173.63 1xhn s GLY 33 N -3.02 0.04 -0.16 3.67 0.00 0.29 -4.80 107.32 103.34 1xhn s GLY 33 Ca 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.56 1xhn s GLY 33 CO 0.10 0.56 0.01 0.00 0.00 0.00 0.00 173.10 173.77 1xhn s ALA 34 N -2.85 3.23 -0.14 3.20 0.00 -0.87 -1.36 121.76 122.98 1xhn s ALA 34 Ca 0.15 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xhn s ALA 34 Cb -0.03 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1xhn s ALA 34 CO 0.06 0.26 -0.09 -1.17 0.00 0.00 0.00 175.76 174.83 1xhn s LEU 35 N 0.16 2.96 -0.16 0.00 2.96 -0.40 -0.95 118.68 123.25 1xhn s LEU 35 Ca 0.02 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1xhn s LEU 35 Cb -0.13 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1xhn s LEU 35 CO 0.02 0.17 0.12 0.00 -1.32 0.00 0.00 176.35 175.34 1xhn s ALA 36 N 0.33 3.71 0.37 5.97 0.00 0.18 -2.44 121.76 129.87 1xhn s ALA 36 Ca -0.08 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1xhn s ALA 36 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1xhn s ALA 36 CO 0.04 0.36 0.24 0.95 0.00 0.00 0.00 175.76 177.35 1xhn s THR 37 N -0.22 0.16 -0.24 0.00 -4.23 -0.37 -1.89 115.64 108.85 1xhn s THR 37 Ca 0.10 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.50 1xhn s THR 37 Cb -0.12 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1xhn s THR 37 CO 0.01 0.00 0.21 -0.63 -0.54 0.00 0.00 174.62 173.67 1xhn s ILE 38 N -3.33 5.32 0.32 2.99 -1.09 -1.26 -0.32 121.20 123.82 1xhn s ILE 38 Ca 0.35 0.28 -0.29 0.00 -2.23 0.00 0.00 60.65 58.76 1xhn s ILE 38 Cb 0.02 -3.55 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 1xhn s ILE 38 CO 0.24 0.31 1.32 -0.55 -1.23 0.00 0.00 174.94 175.03 1xhn s SER 39 N 1.20 6.76 -0.04 3.58 0.15 0.12 -4.66 113.70 120.80 1xhn s SER 39 Ca 0.09 2.68 0.13 0.00 0.70 0.00 0.00 55.95 59.55 1xhn s SER 39 Cb -0.14 -2.65 0.40 0.00 -1.71 0.00 0.00 66.02 61.92 1xhn s SER 39 CO 0.06 -0.55 1.33 0.35 1.20 0.00 0.00 173.24 175.63 1xhn n THR 40 N 1.03 1.31 -2.53 6.45 -2.24 -1.26 -1.10 114.28 115.94 1xhn n THR 40 Ca 0.01 -1.19 -0.42 0.00 -2.27 0.00 0.00 64.05 60.19 1xhn n THR 40 Cb 0.42 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1xhn n THR 40 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xhn s LEU 41 N -1.42 4.42 0.21 3.22 1.43 -1.26 -4.91 118.68 120.37 1xhn s LEU 41 Ca 0.30 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.23 1xhn s LEU 41 Cb 0.18 -3.59 0.24 0.00 0.03 0.00 0.00 46.19 43.06 1xhn s LEU 41 CO 0.16 -0.31 1.62 -0.08 0.23 0.00 0.00 176.35 177.97 1xhn h GLU 42 N 6.11 -0.01 -0.68 1.70 4.57 -1.97 0.26 114.58 124.57 1xhn h GLU 42 Ca -0.43 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.87 1xhn h GLU 42 Cb 1.21 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1xhn h GLU 42 CO 0.76 -0.00 0.45 0.00 -1.18 0.00 0.00 179.01 179.04 1xhn h ALA 43 N 1.62 2.04 -0.38 2.92 0.00 -2.01 -3.07 119.26 120.38 1xhn h ALA 43 Ca 0.31 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 1xhn h ALA 43 Cb 0.47 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 17.81 1xhn h ALA 43 CO -0.66 -0.20 -0.98 1.33 0.00 0.00 0.00 179.25 178.74 1xhn n VAL 44 N -4.47 1.39 -1.84 0.00 0.24 -0.65 -5.09 118.33 107.91 1xhn n VAL 44 Ca 0.12 -2.86 -0.42 0.00 -2.04 0.00 0.00 64.34 59.14 1xhn n VAL 44 Cb 0.43 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.32 1xhn n VAL 44 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1xhn s ARG 45 N -2.95 4.16 0.00 7.34 3.52 0.84 -1.34 118.95 130.53 1xhn s ARG 45 Ca 0.35 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.45 1xhn s ARG 45 Cb 0.36 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1xhn s ARG 45 CO -0.05 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.24 1xhn n GLY 46 N 2.79 2.38 3.79 8.12 0.00 -0.26 -4.99 105.19 117.01 1xhn n GLY 46 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1xhn n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xhn s ARG 47 N -0.27 3.66 0.28 1.61 0.52 -0.45 -4.64 118.95 119.66 1xhn s ARG 47 Ca 0.00 1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 56.42 1xhn s ARG 47 Cb 0.00 -2.12 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 1xhn s ARG 47 CO 0.00 -0.57 1.33 -1.25 0.02 0.00 0.00 175.30 174.83 1xhn s PRO 48 N -3.14 4.36 0.09 3.54 0.04 -1.26 -0.71 135.00 137.92 1xhn s PRO 48 Ca 0.68 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.98 1xhn s PRO 48 Cb -0.21 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1xhn s PRO 48 CO 0.24 -0.24 -0.21 0.12 0.04 0.00 0.00 177.00 176.96 1xhn s PHE 49 N -0.59 1.79 0.05 0.56 5.36 0.56 -4.83 117.98 120.88 1xhn s PHE 49 Ca 0.53 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 56.13 1xhn s PHE 49 Cb -0.39 -0.99 -0.02 0.00 -0.34 0.00 0.00 43.02 41.27 1xhn s PHE 49 CO 0.47 0.19 -0.13 0.00 -1.46 0.00 0.00 175.22 174.28 1xhn s ALA 50 N -1.10 1.07 0.07 11.12 0.00 -1.26 -1.23 121.76 130.42 1xhn s ALA 50 Ca 0.06 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 50.92 1xhn s ALA 50 Cb -0.10 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1xhn s ALA 50 CO 0.04 0.17 0.65 0.34 0.00 0.00 0.00 175.76 176.96 1xhn s ASP 51 N -1.32 -0.60 -0.22 0.00 2.15 -1.02 -4.98 116.67 110.69 1xhn s ASP 51 Ca -0.01 0.30 -0.12 0.00 0.43 0.00 0.00 52.55 53.15 1xhn s ASP 51 Cb -0.08 0.57 -0.05 0.00 -0.30 0.00 0.00 42.92 43.05 1xhn s ASP 51 CO 0.01 -0.80 0.20 -0.69 -0.17 0.00 0.00 175.17 173.72 1xhn s VAL 52 N -2.66 5.34 0.01 1.11 1.01 -1.26 -1.28 120.40 122.67 1xhn s VAL 52 Ca -0.04 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1xhn s VAL 52 Cb -0.01 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1xhn s VAL 52 CO -0.03 0.35 -0.17 -0.76 0.00 0.00 0.00 175.10 174.48 1xhn s LEU 53 N 0.94 2.08 0.61 3.92 1.43 -0.46 -4.99 118.68 122.21 1xhn s LEU 53 Ca 0.10 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 1xhn s LEU 53 Cb -0.13 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 1xhn s LEU 53 CO 0.04 0.18 1.11 -0.44 0.23 0.00 0.00 176.35 177.46 1xhn s SER 54 N -0.65 5.40 0.19 2.29 0.01 -1.26 -0.55 113.70 119.13 1xhn s SER 54 Ca 0.06 2.03 -0.17 0.00 1.31 0.00 0.00 55.95 59.17 1xhn s SER 54 Cb -0.07 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.63 1xhn s SER 54 CO 0.00 -1.43 0.52 -1.48 0.41 0.00 0.00 173.24 171.26 1xhn s LEU 55 N -4.48 0.08 -0.16 2.44 0.05 -0.76 -4.55 118.68 111.31 1xhn s LEU 55 Ca 0.68 -0.48 -0.22 0.00 0.05 0.00 0.00 54.13 54.16 1xhn s LEU 55 Cb -0.21 2.13 0.06 0.00 -2.05 0.00 0.00 46.19 46.12 1xhn s LEU 55 CO 0.36 -1.05 0.57 -0.55 -0.55 0.00 0.00 176.35 175.14 1xhn s SER 56 N -2.87 -0.57 -0.00 1.48 0.15 -0.83 -4.36 113.70 106.69 1xhn s SER 56 Ca 0.09 0.95 0.11 0.00 0.70 0.00 0.00 55.95 57.80 1xhn s SER 56 Cb -0.01 0.95 0.33 0.00 -1.71 0.00 0.00 66.02 65.58 1xhn s SER 56 CO -0.03 -0.32 1.28 -0.90 1.20 0.00 0.00 173.24 174.46 1xhn n ASP 57 N 2.18 3.01 0.00 5.45 5.75 -1.25 -0.89 116.55 130.80 1xhn n ASP 57 Ca -0.16 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1xhn n ASP 57 Cb 0.56 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1xhn n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xhn n GLY 58 N 0.56 -1.48 3.79 6.12 0.00 -1.26 -0.71 105.19 112.22 1xhn n GLY 58 Ca 0.13 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1xhn n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xhn s PRO 59 N -1.77 2.71 0.30 1.61 0.04 -1.20 -4.84 135.00 131.86 1xhn s PRO 59 Ca 0.00 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.20 1xhn s PRO 59 Cb 0.00 -1.96 0.81 0.00 0.04 0.00 0.00 34.50 33.39 1xhn s PRO 59 CO 0.00 -1.28 1.65 -1.35 0.04 0.00 0.00 177.00 176.06 1xhn h PRO 60 N -0.65 0.24 0.00 0.56 0.11 -1.94 -0.53 132.00 129.79 1xhn h PRO 60 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xhn h PRO 60 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xhn h PRO 60 CO 0.54 0.16 0.00 0.78 -0.21 0.00 0.00 178.00 179.28 1xhn h GLY 61 N 0.25 0.00 -5.52 -0.55 0.00 -2.01 -3.43 103.07 91.81 1xhn h GLY 61 Ca 0.60 0.00 0.14 0.00 0.00 0.00 0.00 47.33 48.07 1xhn h GLY 61 CO -0.64 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 175.90 1xhn s ALA 62 N -4.03 -2.51 0.13 3.60 0.00 -0.21 -5.16 121.76 113.58 1xhn s ALA 62 Ca -0.04 2.01 0.05 0.00 0.00 0.00 0.00 51.96 53.99 1xhn s ALA 62 Cb 0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1xhn s ALA 62 CO 0.44 -1.10 0.05 0.20 0.00 0.00 0.00 175.76 175.34 1xhn s GLY 63 N 2.75 1.82 0.00 0.00 0.00 -1.26 -3.26 107.32 107.37 1xhn s GLY 63 Ca 0.02 -1.20 0.22 0.00 0.00 0.00 0.00 44.72 43.76 1xhn s GLY 63 CO -0.18 -1.20 1.02 -1.14 0.00 0.00 0.00 173.10 171.60 1xhn n SER 64 N 0.10 1.57 0.00 1.64 3.41 0.11 -4.96 113.62 115.49 1xhn n SER 64 Ca -0.09 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1xhn n SER 64 Cb 0.54 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 1xhn n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhn n GLY 65 N 1.45 2.75 3.65 5.00 0.00 -1.26 -4.94 105.19 111.84 1xhn n GLY 65 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1xhn n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhn s VAL 66 N -2.11 4.48 -0.21 1.61 1.01 -1.26 -4.98 120.40 118.94 1xhn s VAL 66 Ca 0.00 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 1xhn s VAL 66 Cb 0.00 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1xhn s VAL 66 CO 0.00 -0.32 1.24 -2.84 0.00 0.00 0.00 175.10 173.18 1xhn s PRO 67 N 3.55 4.16 0.05 2.72 0.02 -1.26 -3.83 135.00 140.40 1xhn s PRO 67 Ca 0.48 1.52 0.01 0.00 0.02 0.00 0.00 61.00 63.03 1xhn s PRO 67 Cb -0.15 -3.78 -0.04 0.00 0.02 0.00 0.00 34.50 30.55 1xhn s PRO 67 CO 0.13 -0.80 0.12 0.71 -0.33 0.00 0.00 177.00 176.83 1xhn s TYR 68 N 3.68 3.32 0.07 6.54 1.51 -0.07 -1.95 117.35 130.45 1xhn s TYR 68 Ca 0.54 0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.81 1xhn s TYR 68 Cb -0.20 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1xhn s TYR 68 CO 0.16 0.55 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.96 1xhn s PHE 69 N -1.37 1.16 -0.30 2.71 0.08 0.27 -1.97 117.98 118.55 1xhn s PHE 69 Ca 0.29 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.81 1xhn s PHE 69 Cb -0.12 -0.65 0.03 0.00 -0.57 0.00 0.00 43.02 41.71 1xhn s PHE 69 CO 0.22 0.04 0.04 -0.47 -0.10 0.00 0.00 175.22 174.95 1xhn s TYR 70 N -1.44 3.20 0.15 0.36 5.04 -1.26 -0.91 117.35 122.49 1xhn s TYR 70 Ca -0.02 -1.48 0.08 0.00 -2.44 0.00 0.00 57.07 53.22 1xhn s TYR 70 Cb -0.09 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 40.00 1xhn s TYR 70 CO 0.02 -0.72 -0.19 -0.51 -1.34 0.00 0.00 175.55 172.81 1xhn s LEU 71 N 1.36 2.41 -0.01 6.97 1.43 -0.60 -4.94 118.68 125.30 1xhn s LEU 71 Ca -0.01 -0.83 0.07 0.00 -1.03 0.00 0.00 54.13 52.33 1xhn s LEU 71 Cb -0.18 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1xhn s LEU 71 CO 0.00 -0.01 -0.23 -0.55 0.23 0.00 0.00 176.35 175.79 1xhn s SER 72 N -2.52 3.36 0.45 2.29 0.15 -1.26 -1.00 113.70 115.17 1xhn s SER 72 Ca 0.14 -0.42 0.27 0.00 0.70 0.00 0.00 55.95 56.64 1xhn s SER 72 Cb -0.07 -0.48 1.48 0.00 -1.71 0.00 0.00 66.02 65.25 1xhn s SER 72 CO 0.06 0.31 1.82 -0.65 1.20 0.00 0.00 173.24 175.98 1xhn h PRO 73 N 5.26 0.00 0.00 5.44 0.11 -1.77 -0.47 132.00 140.57 1xhn h PRO 73 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xhn h PRO 73 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xhn h PRO 73 CO 0.47 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.19 1xhn h LEU 74 N 0.00 0.00 -9.88 2.35 3.38 -1.95 -3.39 115.31 105.81 1xhn h LEU 74 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1xhn h LEU 74 Cb 0.15 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xhn h LEU 74 CO 0.00 0.00 0.50 -1.10 0.09 0.00 0.00 178.44 177.93 1xhn s GLN 75 N -3.38 4.34 0.17 1.13 -0.21 -0.19 -4.96 119.66 116.56 1xhn s GLN 75 Ca 0.04 1.83 -0.14 0.00 0.02 0.00 0.00 55.36 57.11 1xhn s GLN 75 Cb 0.09 -2.91 0.12 0.00 1.00 0.00 0.00 33.01 31.31 1xhn s GLN 75 CO 0.48 -0.07 1.77 -0.07 -2.12 0.00 0.00 175.29 175.28 1xhn h LEU 76 N 3.17 0.26 -0.88 2.90 3.38 -1.89 -2.01 115.31 120.24 1xhn h LEU 76 Ca -0.48 0.04 0.11 0.00 0.09 0.00 0.00 57.88 57.64 1xhn h LEU 76 Cb 1.22 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 1xhn h LEU 76 CO 0.65 0.19 0.52 0.28 0.09 0.00 0.00 178.44 180.16 1xhn h SER 77 N 0.40 0.73 -0.23 -0.43 0.02 -1.95 -2.59 113.55 109.51 1xhn h SER 77 Ca 0.21 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1xhn h SER 77 Cb 0.15 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1xhn h SER 77 CO -0.17 0.40 -0.27 0.58 -1.14 0.00 0.00 176.83 176.23 1xhn h VAL 78 N 0.83 1.32 -0.97 2.27 2.07 -1.67 -0.05 116.25 120.05 1xhn h VAL 78 Ca 0.43 -1.45 0.15 0.00 0.82 0.00 0.00 66.70 66.65 1xhn h VAL 78 Cb 0.43 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.84 1xhn h VAL 78 CO -0.27 0.45 0.59 0.77 0.02 0.00 0.00 177.57 179.13 1xhn h SER 79 N 0.28 0.81 -0.34 0.57 4.64 -1.29 -0.37 113.55 117.85 1xhn h SER 79 Ca 0.03 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1xhn h SER 79 Cb 0.84 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1xhn h SER 79 CO 0.06 0.37 -0.02 0.78 -0.87 0.00 0.00 176.83 177.15 1xhn h ASN 80 N 0.85 0.60 0.34 4.97 2.35 -1.04 -3.04 115.58 120.62 1xhn h ASN 80 Ca 0.52 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1xhn h ASN 80 Cb 0.66 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1xhn h ASN 80 CO -0.32 0.78 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.98 1xhn h LEU 81 N 0.41 0.00 -1.07 1.61 3.38 -0.18 -1.89 115.31 117.57 1xhn h LEU 81 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1xhn h LEU 81 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1xhn h LEU 81 CO 0.02 0.18 -0.31 1.56 0.09 0.00 0.00 178.44 179.98 1xhn h GLN 82 N 0.00 0.00 0.00 1.13 1.08 -0.98 -2.76 115.11 113.59 1xhn h GLN 82 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1xhn h GLN 82 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1xhn h GLN 82 CO 0.02 0.31 -1.06 0.93 -0.95 0.00 0.00 178.83 178.08 1xhn h GLU 83 N 0.00 0.00 -0.76 1.46 4.39 -1.41 -3.46 114.58 114.81 1xhn h GLU 83 Ca -0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.81 1xhn h GLU 83 Cb 0.80 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.25 1xhn h GLU 83 CO 0.04 0.20 -0.19 1.21 -1.16 0.00 0.00 179.01 179.11 1xhn s ASN 84 N -5.77 -1.14 0.00 1.42 3.84 -0.77 -5.05 114.94 107.47 1xhn s ASN 84 Ca -0.01 0.41 0.29 0.00 0.21 0.00 0.00 52.86 53.77 1xhn s ASN 84 Cb 0.09 1.84 1.76 0.00 -0.55 0.00 0.00 41.25 44.38 1xhn s ASN 84 CO 0.79 -0.21 2.10 -0.81 -2.79 0.00 0.00 177.10 176.17 1xhn n PRO 85 N 5.38 0.93 -2.26 0.43 -0.04 -1.06 -3.97 135.00 134.42 1xhn n PRO 85 Ca 0.02 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 1xhn n PRO 85 Cb 0.54 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1xhn n PRO 85 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1xhn s TYR 86 N -2.00 3.30 0.18 0.54 5.04 -1.26 -1.04 117.35 122.11 1xhn s TYR 86 Ca 0.44 1.32 -0.12 0.00 -2.44 0.00 0.00 57.07 56.27 1xhn s TYR 86 Cb 0.20 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1xhn s TYR 86 CO 0.34 -1.63 0.38 0.00 -1.34 0.00 0.00 175.55 173.30 1xhn s ALA 87 N -0.11 -0.32 -0.04 3.97 0.00 -0.50 -4.62 121.76 120.14 1xhn s ALA 87 Ca 0.54 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1xhn s ALA 87 Cb -0.35 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.65 1xhn s ALA 87 CO 0.39 -0.72 -0.09 0.99 0.00 0.00 0.00 175.76 176.33 1xhn s THR 88 N -3.94 0.86 -0.14 0.00 2.01 -0.79 -1.72 115.64 111.92 1xhn s THR 88 Ca 0.15 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1xhn s THR 88 Cb 0.02 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1xhn s THR 88 CO -0.00 0.28 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.94 1xhn s LEU 89 N 0.44 3.19 0.49 4.42 2.96 0.69 0.48 118.68 131.35 1xhn s LEU 89 Ca -0.08 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1xhn s LEU 89 Cb -0.12 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1xhn s LEU 89 CO 0.01 0.20 0.02 0.28 -1.32 0.00 0.00 176.35 175.54 1xhn s THR 90 N 0.15 1.16 -0.19 3.68 -1.32 -0.12 -0.57 115.64 118.42 1xhn s THR 90 Ca -0.02 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.17 1xhn s THR 90 Cb -0.14 -2.24 0.13 0.00 -1.51 0.00 0.00 72.50 68.75 1xhn s THR 90 CO 0.03 0.00 1.05 0.28 -2.21 0.00 0.00 174.62 173.77 1xhn s THR 92 N -2.90 0.00 -1.11 5.08 -1.32 -1.26 -2.04 115.64 112.09 1xhn s THR 92 Ca 0.10 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.62 1xhn s THR 92 Cb 0.02 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.06 1xhn s THR 92 CO 0.05 0.00 1.09 0.18 -2.21 0.00 0.00 174.62 173.73 1xhn n LEU 93 N 0.93 0.00 0.13 9.08 4.77 0.11 -2.17 117.00 129.86 1xhn n LEU 93 Ca -0.09 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1xhn n LEU 93 Cb 0.58 -0.45 0.50 0.00 -2.33 0.00 0.00 43.42 41.72 1xhn n LEU 93 CO 0.13 -0.39 0.84 0.00 -1.33 0.00 0.00 177.39 176.64 1xhn n ALA 94 N -1.45 1.49 0.70 -1.18 0.00 -1.26 -0.77 120.51 118.05 1xhn n ALA 94 Ca 0.01 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.66 1xhn n ALA 94 Cb 0.04 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 18.59 1xhn n ALA 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xhn n GLN 95 N -2.20 0.03 -1.07 0.00 6.02 -0.92 -4.78 117.38 114.46 1xhn n GLN 95 Ca 0.01 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1xhn n GLN 95 Cb 0.17 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1xhn n GLN 95 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1xhn n THR 96 N -1.60 0.00 1.42 5.09 -2.24 0.05 -5.02 114.28 111.99 1xhn n THR 96 Ca 0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1xhn n THR 96 Cb 0.26 -0.65 0.48 0.00 -2.10 0.00 0.00 70.33 68.32 1xhn n THR 96 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xhn n ASN 97 N -1.82 1.52 -0.15 3.42 2.85 -1.26 -4.54 115.26 115.27 1xhn n ASN 97 Ca 0.00 -1.56 -0.08 0.00 -0.11 0.00 0.00 54.58 52.83 1xhn n ASN 97 Cb 0.00 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1xhn n ASN 97 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1xhn h PHE 98 N 2.25 0.61 -0.03 1.20 3.57 -1.93 0.74 116.94 123.36 1xhn h PHE 98 Ca 0.00 -0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.22 1xhn h PHE 98 Cb 0.48 -0.19 0.02 0.00 2.79 0.00 0.00 35.95 39.05 1xhn h PHE 98 CO 0.03 0.48 -0.99 0.00 -2.23 0.00 0.00 178.31 175.61 1xhn h LYS 100 N 0.41 1.07 -0.51 0.00 1.57 -1.74 -0.32 116.57 117.05 1xhn h LYS 100 Ca -0.12 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1xhn h LYS 100 Cb 1.64 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 1xhn h LYS 100 CO 0.20 0.71 0.03 -0.22 -0.57 0.00 0.00 179.45 179.60 1xhn h LYS 101 N 1.10 0.83 -0.01 3.15 3.11 -0.85 -2.84 116.57 121.06 1xhn h LYS 101 Ca 0.31 -0.22 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1xhn h LYS 101 Cb -0.11 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 1xhn h LYS 101 CO -0.07 0.81 -0.31 0.72 -2.81 0.00 0.00 179.45 177.79 1xhn n HIS 102 N -4.22 0.00 -1.60 1.91 8.25 -1.06 -4.94 115.22 113.56 1xhn n HIS 102 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 1xhn n HIS 102 Cb 0.29 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 1xhn n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xhn n GLY 103 N 1.36 0.65 3.67 -1.41 0.00 -0.23 -5.00 105.19 104.24 1xhn n GLY 103 Ca 0.12 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1xhn n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xhn s PHE 104 N -2.36 3.44 0.43 1.61 0.08 -0.61 -5.02 117.98 115.55 1xhn s PHE 104 Ca 0.00 1.44 -0.26 0.00 0.12 0.00 0.00 56.93 58.24 1xhn s PHE 104 Cb 0.00 -3.14 -0.09 0.00 -0.57 0.00 0.00 43.02 39.22 1xhn s PHE 104 CO 0.00 -0.28 1.41 0.34 -0.10 0.00 0.00 175.22 176.59 1xhn s ASP 105 N 1.14 6.00 0.50 1.36 -1.08 -1.26 -4.50 116.67 118.83 1xhn s ASP 105 Ca 0.44 2.89 0.29 0.00 -0.52 0.00 0.00 52.55 55.64 1xhn s ASP 105 Cb -0.17 -2.65 1.38 0.00 -1.46 0.00 0.00 42.92 40.02 1xhn s ASP 105 CO 0.13 -1.09 1.85 -0.65 0.52 0.00 0.00 175.17 175.93 1xhn h PRO 106 N 2.46 0.12 -0.01 4.34 0.11 -1.95 -0.41 132.00 136.66 1xhn h PRO 106 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xhn h PRO 106 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xhn h PRO 106 CO 0.62 0.08 -0.26 0.94 -0.21 0.00 0.00 178.00 179.16 1xhn n GLN 107 N -4.34 1.01 -2.45 1.05 7.27 -1.26 -4.80 117.38 113.86 1xhn n GLN 107 Ca 0.21 -0.65 -0.41 0.00 0.07 0.00 0.00 57.00 56.23 1xhn n GLN 107 Cb 0.98 -1.49 -0.04 0.00 2.41 0.00 0.00 30.24 32.10 1xhn n GLN 107 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1xhn s SER 108 N -2.44 7.21 0.18 1.69 0.15 -0.16 -4.91 113.70 115.42 1xhn s SER 108 Ca 0.25 2.26 0.15 0.00 0.70 0.00 0.00 55.95 59.31 1xhn s SER 108 Cb 0.19 -2.62 0.74 0.00 -1.71 0.00 0.00 66.02 62.62 1xhn s SER 108 CO 0.51 -0.21 1.47 -0.81 1.20 0.00 0.00 173.24 175.39 1xhn n PRO 109 N 1.57 0.09 0.18 5.44 -0.04 -1.26 -1.13 135.00 139.86 1xhn n PRO 109 Ca 0.00 0.51 0.03 0.00 -0.04 0.00 0.00 63.50 64.00 1xhn n PRO 109 Cb 0.45 -1.76 0.35 0.00 -0.04 0.00 0.00 33.50 32.50 1xhn n PRO 109 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1xhn h LEU 110 N 0.00 0.00 -8.00 1.53 3.38 -1.86 -3.28 115.31 107.09 1xhn h LEU 110 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1xhn h LEU 110 Cb 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.70 1xhn h LEU 110 CO 0.00 0.39 1.11 0.00 0.09 0.00 0.00 178.44 180.03 1xhn n VAL 112 N 5.88 0.34 -4.18 0.00 0.31 -1.24 -4.68 118.33 114.75 1xhn n VAL 112 Ca 0.28 -0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.37 1xhn n VAL 112 Cb 0.49 -1.98 -0.11 0.00 -0.91 0.00 0.00 33.84 31.33 1xhn n VAL 112 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1xhn s HIS 113 N 0.78 1.13 0.00 3.52 -3.43 -0.93 -0.71 115.29 115.65 1xhn s HIS 113 Ca 0.71 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.38 1xhn s HIS 113 Cb -0.50 -0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.03 1xhn s HIS 113 CO 0.38 0.03 0.00 0.44 -2.00 0.00 0.00 174.74 173.59 1xhn n ILE 114 N 0.73 0.00 -3.52 -5.38 -5.35 -1.26 -1.14 119.36 103.44 1xhn n ILE 114 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1xhn n ILE 114 Cb 0.57 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.41 1xhn n ILE 114 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1xhn s LEU 116 N 0.00 -0.39 0.14 7.28 1.43 0.27 -4.34 118.68 123.06 1xhn s LEU 116 Ca 0.00 0.58 0.11 0.00 -1.03 0.00 0.00 54.13 53.79 1xhn s LEU 116 Cb 0.00 1.51 -0.04 0.00 0.03 0.00 0.00 46.19 47.69 1xhn s LEU 116 CO 0.00 -0.09 -0.25 -0.55 0.23 0.00 0.00 176.35 175.69 1xhn s SER 117 N 1.68 3.22 0.00 2.29 0.15 -0.14 -0.23 113.70 120.68 1xhn s SER 117 Ca -0.06 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1xhn s SER 117 Cb -0.04 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1xhn s SER 117 CO -0.15 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1xhn n GLY 118 N 0.81 -0.76 3.33 9.45 0.00 -0.70 -0.82 105.19 116.50 1xhn n GLY 118 Ca -0.17 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 1xhn n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xhn s THR 119 N -4.00 1.96 -0.21 2.61 -4.23 -0.99 -1.41 115.64 109.37 1xhn s THR 119 Ca 0.00 -1.66 -0.08 0.00 -1.18 0.00 0.00 61.69 58.77 1xhn s THR 119 Cb 0.00 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1xhn s THR 119 CO 0.00 -0.01 0.08 -0.69 -0.54 0.00 0.00 174.62 173.47 1xhn s VAL 120 N -1.16 4.82 0.05 2.29 1.01 -0.20 -0.46 120.40 126.73 1xhn s VAL 120 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1xhn s VAL 120 Cb -0.10 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1xhn s VAL 120 CO 0.05 0.41 -0.09 0.42 0.00 0.00 0.00 175.10 175.90 1xhn s THR 121 N 0.77 0.61 0.36 3.92 -4.23 -0.88 -4.85 115.64 111.34 1xhn s THR 121 Ca 0.04 -1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 59.17 1xhn s THR 121 Cb -0.13 -0.67 -0.11 0.00 1.34 0.00 0.00 72.50 72.93 1xhn s THR 121 CO 0.02 -0.36 1.51 -0.75 -0.54 0.00 0.00 174.62 174.51 1xhn s LYS 122 N -1.59 4.11 0.26 3.99 2.20 -1.26 -1.50 119.74 125.95 1xhn s LYS 122 Ca -0.09 2.58 -0.27 0.00 -0.36 0.00 0.00 55.97 57.83 1xhn s LYS 122 Cb -0.10 -2.98 -0.09 0.00 -1.51 0.00 0.00 37.83 33.15 1xhn s LYS 122 CO 0.01 -0.56 0.90 0.14 -0.36 0.00 0.00 175.35 175.47 1xhn s VAL 123 N -0.89 4.21 0.28 4.02 -7.23 0.48 -4.84 120.40 116.43 1xhn s VAL 123 Ca 0.55 1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 62.28 1xhn s VAL 123 Cb -0.47 -4.13 -0.10 0.00 0.56 0.00 0.00 36.38 32.24 1xhn s VAL 123 CO 0.60 0.34 1.19 0.54 -0.31 0.00 0.00 175.10 177.45 1xhn s ASN 124 N -1.39 7.08 0.00 4.85 2.20 -1.26 -4.89 114.94 121.52 1xhn s ASN 124 Ca 0.44 2.40 0.00 0.00 -0.94 0.00 0.00 52.86 54.76 1xhn s ASN 124 Cb -0.22 -2.63 0.00 0.00 -2.00 0.00 0.00 41.25 36.40 1xhn s ASN 124 CO 0.27 -0.31 0.00 -1.84 -2.94 0.00 0.00 177.10 172.28 1xhn n GLU 125 N 1.33 0.00 -0.34 3.55 0.28 -1.26 -1.00 120.64 123.20 1xhn n GLU 125 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1xhn n GLU 125 Cb 0.44 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.41 1xhn n GLU 125 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1xhn h THR 126 N 0.00 1.26 -0.16 3.84 1.35 -2.05 -3.38 112.91 113.77 1xhn h THR 126 Ca 0.00 -0.58 -0.52 0.00 -0.55 0.00 0.00 66.41 64.76 1xhn h THR 126 Cb 0.00 -0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.35 1xhn h THR 126 CO 0.00 0.28 2.28 1.21 -0.25 0.00 0.00 175.52 179.03 1xhn n GLU 127 N -4.35 3.21 0.00 4.72 2.13 -0.17 -4.52 120.64 121.67 1xhn n GLU 127 Ca 0.10 -1.96 0.00 0.00 0.66 0.00 0.00 57.16 55.96 1xhn n GLU 127 Cb 0.07 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.27 1xhn n GLU 127 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xhn n ASP 129 N 2.95 0.00 0.27 4.31 8.00 -1.26 -0.82 116.55 129.99 1xhn n ASP 129 Ca 0.65 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 56.00 1xhn n ASP 129 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.47 1xhn n ASP 129 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1xhn h ILE 130 N 0.00 0.49 -0.45 0.53 2.04 -1.93 -0.41 117.51 117.78 1xhn h ILE 130 Ca 0.00 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1xhn h ILE 130 Cb 0.00 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 36.59 1xhn h ILE 130 CO 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 178.15 178.08 1xhn h ALA 131 N -0.35 0.31 -0.83 1.87 0.00 -1.36 0.20 119.26 119.10 1xhn h ALA 131 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xhn h ALA 131 Cb 0.56 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1xhn h ALA 131 CO 0.11 -0.44 0.53 -0.22 0.00 0.00 0.00 179.25 179.23 1xhn h LYS 132 N 0.01 1.11 -0.10 0.00 3.64 -1.77 0.96 116.57 120.41 1xhn h LYS 132 Ca 0.22 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1xhn h LYS 132 Cb 0.33 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1xhn h LYS 132 CO -0.46 0.75 -0.20 1.25 -2.27 0.00 0.00 179.45 178.52 1xhn h HIS 133 N 1.13 0.40 -0.69 1.91 2.76 -0.13 -0.21 115.15 120.31 1xhn h HIS 133 Ca 0.30 -0.14 0.15 0.00 -2.20 0.00 0.00 60.37 58.47 1xhn h HIS 133 Cb -0.09 -0.07 -0.13 0.00 1.55 0.00 0.00 27.41 28.67 1xhn h HIS 133 CO -0.01 0.81 -0.09 0.77 -1.30 0.00 0.00 177.93 178.11 1xhn h SER 134 N -0.13 -0.49 0.08 3.26 0.02 -0.43 -2.12 113.55 113.75 1xhn h SER 134 Ca 0.00 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1xhn h SER 134 Cb 0.79 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1xhn h SER 134 CO 0.04 -0.20 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.43 1xhn h LEU 135 N 0.05 -0.10 -1.43 5.07 3.38 -0.78 -3.33 115.31 118.17 1xhn h LEU 135 Ca 0.35 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xhn h LEU 135 Cb 0.58 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1xhn h LEU 135 CO -0.66 0.56 0.15 -0.26 0.09 0.00 0.00 178.44 178.32 1xhn h PHE 136 N -0.92 0.52 0.00 1.13 0.05 -0.99 0.39 116.94 117.13 1xhn h PHE 136 Ca -0.01 -0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.72 1xhn h PHE 136 Cb 0.55 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 1xhn h PHE 136 CO 0.12 0.42 -0.20 0.97 -0.18 0.00 0.00 178.31 179.44 1xhn h ILE 137 N 0.53 0.70 0.00 -0.55 6.09 -1.55 -2.51 117.51 120.22 1xhn h ILE 137 Ca 0.13 -0.86 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 1xhn h ILE 137 Cb 0.11 1.54 0.00 0.00 0.47 0.00 0.00 36.82 38.94 1xhn h ILE 137 CO -0.01 0.20 -1.07 0.54 -3.07 0.00 0.00 178.15 174.74 1xhn n ARG 138 N -3.65 1.52 -3.33 2.19 1.74 -0.70 -4.63 116.66 109.80 1xhn n ARG 138 Ca -0.01 -0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 1xhn n ARG 138 Cb 0.33 -1.25 -0.08 0.00 -1.02 0.00 0.00 32.46 30.44 1xhn n ARG 138 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xhn n HIS 139 N -1.60 2.18 0.33 -1.55 8.25 0.13 -4.97 115.22 117.98 1xhn n HIS 139 Ca 0.01 -3.94 0.15 0.00 -0.26 0.00 0.00 57.72 53.68 1xhn n HIS 139 Cb 0.29 -0.48 0.79 0.00 1.12 0.00 0.00 29.99 31.71 1xhn n HIS 139 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xhn h PRO 140 N 4.10 0.00 -2.27 -0.41 0.13 -1.70 -3.40 132.00 128.44 1xhn h PRO 140 Ca 0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.17 1xhn h PRO 140 Cb 0.74 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.83 1xhn h PRO 140 CO 0.70 0.00 -0.09 -1.91 -0.23 0.00 0.00 178.00 176.47 1xhn n GLU 141 N -2.90 1.27 0.00 0.86 2.13 -1.26 -4.45 120.64 116.29 1xhn n GLU 141 Ca -0.02 -0.59 0.00 0.00 0.66 0.00 0.00 57.16 57.22 1xhn n GLU 141 Cb 0.41 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1xhn n GLU 141 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xhn n LYS 143 N 2.52 0.00 0.00 5.31 5.02 -1.26 -3.33 118.16 126.41 1xhn n LYS 143 Ca 0.25 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1xhn n LYS 143 Cb 0.59 -0.20 0.02 0.00 -0.02 0.00 0.00 35.03 35.42 1xhn n LYS 143 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xhn n THR 144 N -0.04 0.00 -1.89 -0.18 -2.24 -1.26 -4.99 114.28 103.68 1xhn n THR 144 Ca 0.00 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1xhn n THR 144 Cb 0.00 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 1xhn n THR 144 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1xhn s TRP 145 N -2.47 2.78 0.11 4.78 0.52 -1.21 -4.86 118.94 118.59 1xhn s TRP 145 Ca 0.19 1.10 -0.32 0.00 0.02 0.00 0.00 56.10 57.09 1xhn s TRP 145 Cb 0.18 -3.94 -0.11 0.00 -1.15 0.00 0.00 33.47 28.45 1xhn s TRP 145 CO 0.56 -2.88 1.80 -0.35 0.02 0.00 0.00 176.95 176.11 1xhn n PRO 146 N 1.23 2.64 0.07 4.98 -0.04 -1.26 -4.88 135.00 137.74 1xhn n PRO 146 Ca 0.03 0.96 0.18 0.00 -0.04 0.00 0.00 63.50 64.64 1xhn n PRO 146 Cb 0.39 -2.83 0.71 0.00 -0.04 0.00 0.00 33.50 31.73 1xhn n PRO 146 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xhn h SER 147 N 8.18 0.00 -0.11 3.54 0.02 -1.98 -2.40 113.55 120.79 1xhn h SER 147 Ca -0.46 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1xhn h SER 147 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1xhn h SER 147 CO 0.94 0.00 0.11 0.77 -1.14 0.00 0.00 176.83 177.51 1xhn h SER 148 N 0.00 0.00 -0.00 3.07 4.64 -2.02 -2.05 113.55 117.19 1xhn h SER 148 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1xhn h SER 148 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xhn h SER 148 CO -0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1xhn n HIS 149 N -3.94 0.00 -3.68 4.77 -0.00 -0.90 -4.92 115.22 106.55 1xhn n HIS 149 Ca -0.00 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 1xhn n HIS 149 Cb 0.22 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.24 1xhn n HIS 149 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1xhn n ASN 150 N -0.87 -2.22 -4.76 0.41 3.02 -0.77 -4.06 115.26 106.01 1xhn n ASN 150 Ca 0.21 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 1xhn n ASN 150 Cb 0.11 -3.95 -0.00 0.00 -0.61 0.00 0.00 39.78 35.33 1xhn n ASN 150 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1xhn n TRP 151 N -4.18 2.84 -4.14 3.10 7.02 -1.26 -4.42 117.44 116.41 1xhn n TRP 151 Ca -0.25 0.43 -0.09 0.00 -1.02 0.00 0.00 57.50 56.57 1xhn n TRP 151 Cb 0.66 -2.53 -0.10 0.00 -2.42 0.00 0.00 31.31 26.92 1xhn n TRP 151 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 1xhn s PHE 152 N -0.89 0.74 0.01 -5.99 -0.12 -0.17 -4.97 117.98 106.58 1xhn s PHE 152 Ca 0.56 -1.00 -0.16 0.00 -0.05 0.00 0.00 56.93 56.28 1xhn s PHE 152 Cb -0.50 -0.47 -0.06 0.00 -0.63 0.00 0.00 43.02 41.37 1xhn s PHE 152 CO 0.60 -0.27 0.45 -0.06 -0.05 0.00 0.00 175.22 175.89 1xhn s PHE 153 N -3.78 3.74 0.15 3.49 0.40 -1.26 -1.56 117.98 119.16 1xhn s PHE 153 Ca 0.11 1.05 0.03 0.00 -0.60 0.00 0.00 56.93 57.52 1xhn s PHE 153 Cb 0.07 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1xhn s PHE 153 CO -0.06 0.61 -0.05 0.00 0.70 0.00 0.00 175.22 176.41 1xhn s ALA 154 N -0.99 1.33 0.09 5.36 0.00 -0.09 -0.39 121.76 127.07 1xhn s ALA 154 Ca 0.25 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1xhn s ALA 154 Cb -0.17 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1xhn s ALA 154 CO 0.14 -0.21 -0.06 -1.59 0.00 0.00 0.00 175.76 174.04 1xhn s LYS 155 N -3.83 0.78 -0.30 0.00 -2.85 -0.56 -0.57 119.74 112.41 1xhn s LYS 155 Ca 0.19 -1.27 -0.18 0.00 -1.00 0.00 0.00 55.97 53.70 1xhn s LYS 155 Cb 0.05 -0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.64 1xhn s LYS 155 CO 0.01 -0.02 0.51 -1.17 0.10 0.00 0.00 175.35 174.77 1xhn s LEU 156 N -2.91 4.18 -0.56 2.77 2.96 -0.82 -2.07 118.68 122.23 1xhn s LEU 156 Ca 0.09 0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 54.01 1xhn s LEU 156 Cb 0.04 -2.61 0.04 0.00 0.50 0.00 0.00 46.19 44.16 1xhn s LEU 156 CO -0.05 -0.37 1.01 0.20 -1.32 0.00 0.00 176.35 175.82 1xhn s ASN 157 N 1.66 6.37 -0.14 3.68 0.01 0.39 -4.55 114.94 122.36 1xhn s ASN 157 Ca 0.20 -0.21 -0.25 0.00 -0.71 0.00 0.00 52.86 51.89 1xhn s ASN 157 Cb -0.15 -2.47 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1xhn s ASN 157 CO 0.11 -1.29 0.79 -0.63 -1.51 0.00 0.00 177.10 174.57 1xhn s ILE 158 N 4.23 4.93 -0.22 0.60 1.01 -1.26 -2.34 121.20 128.15 1xhn s ILE 158 Ca 0.34 1.58 0.11 0.00 0.00 0.00 0.00 60.65 62.67 1xhn s ILE 158 Cb -0.11 -4.11 -0.14 0.00 0.01 0.00 0.00 42.46 38.11 1xhn s ILE 158 CO 0.21 0.09 0.32 0.35 0.00 0.00 0.00 174.94 175.92 1xhn n THR 159 N 4.47 0.00 -3.80 2.92 -2.24 -0.00 -4.79 114.28 110.83 1xhn n THR 159 Ca 0.03 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1xhn n THR 159 Cb 0.50 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.18 1xhn n THR 159 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xhn s ASN 160 N -2.71 -0.23 -0.02 3.42 -0.87 -0.95 -4.69 114.94 108.89 1xhn s ASN 160 Ca -0.01 0.43 -0.00 0.00 -1.57 0.00 0.00 52.86 51.72 1xhn s ASN 160 Cb 0.07 0.46 0.03 0.00 -0.02 0.00 0.00 41.25 41.79 1xhn s ASN 160 CO 0.44 -0.10 0.03 -0.63 -2.57 0.00 0.00 177.10 174.28 1xhn s ILE 161 N 0.05 -0.06 -0.03 0.60 1.01 -1.24 -0.96 121.20 120.57 1xhn s ILE 161 Ca -0.01 0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.91 1xhn s ILE 161 Cb -0.02 -0.08 -0.01 0.00 0.01 0.00 0.00 42.46 42.36 1xhn s ILE 161 CO 0.00 0.08 -0.23 0.26 0.00 0.00 0.00 174.94 175.06 1xhn s TRP 162 N 1.00 2.10 -0.12 3.97 0.51 -1.26 -2.09 118.94 123.05 1xhn s TRP 162 Ca -0.08 -0.50 0.03 0.00 -2.12 0.00 0.00 56.10 53.42 1xhn s TRP 162 Cb -0.12 -1.37 0.01 0.00 -0.81 0.00 0.00 33.47 31.18 1xhn s TRP 162 CO -0.03 -0.11 -0.20 0.08 -0.51 0.00 0.00 176.95 176.18 1xhn s VAL 163 N -0.33 1.86 -0.42 4.03 1.01 0.46 -4.46 120.40 122.54 1xhn s VAL 163 Ca 0.03 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1xhn s VAL 163 Cb -0.11 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.71 1xhn s VAL 163 CO 0.01 0.51 0.26 -0.76 0.00 0.00 0.00 175.10 175.12 1xhn s LEU 164 N 0.75 5.17 0.00 3.92 2.01 -0.29 0.00 118.68 130.24 1xhn s LEU 164 Ca -0.10 -1.56 0.00 0.00 0.01 0.00 0.00 54.13 52.48 1xhn s LEU 164 Cb -0.16 -1.97 0.00 0.00 0.01 0.00 0.00 46.19 44.07 1xhn s LEU 164 CO 0.01 -0.54 0.23 -0.90 1.01 0.00 0.00 176.35 176.16 1xhn n ASP 165 N 4.89 0.05 -3.66 2.29 5.75 -1.23 -2.18 116.55 122.45 1xhn n ASP 165 Ca -0.09 -1.02 -0.06 0.00 -0.01 0.00 0.00 54.79 53.61 1xhn n ASP 165 Cb 0.43 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 1xhn n ASP 165 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1xhn s TYR 166 N -0.02 -0.11 0.98 2.11 5.04 -1.24 -4.49 117.35 119.62 1xhn s TYR 166 Ca 0.00 -0.33 -0.12 0.00 -2.44 0.00 0.00 57.07 54.18 1xhn s TYR 166 Cb 0.00 0.70 0.18 0.00 0.35 0.00 0.00 41.96 43.19 1xhn s TYR 166 CO 0.00 -1.13 1.09 -0.59 -1.34 0.00 0.00 175.55 173.58 1xhn s PHE 167 N -3.37 2.10 0.00 4.97 -0.00 -1.26 -4.20 117.98 116.22 1xhn s PHE 167 Ca 0.13 1.11 0.00 0.00 -0.00 0.00 0.00 56.93 58.17 1xhn s PHE 167 Cb -0.04 -3.22 0.00 0.00 -0.00 0.00 0.00 43.02 39.76 1xhn s PHE 167 CO 0.06 -2.81 0.00 0.41 -0.00 0.00 0.00 175.22 172.88 1xhn n GLY 168 N -0.91 0.51 0.00 1.99 0.00 -1.26 -5.00 105.19 100.52 1xhn n GLY 168 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xhn n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhn n GLY 169 N -1.49 0.54 3.77 -0.02 0.00 -1.26 -5.00 105.19 101.73 1xhn n GLY 169 Ca 0.00 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 1xhn n GLY 169 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xhn s PRO 170 N -1.10 4.03 -0.22 1.61 0.02 -1.26 -4.79 135.00 133.29 1xhn s PRO 170 Ca 0.00 2.15 -0.09 0.00 0.02 0.00 0.00 61.00 63.08 1xhn s PRO 170 Cb 0.00 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.67 1xhn s PRO 170 CO 0.00 -0.44 0.13 0.15 -0.33 0.00 0.00 177.00 176.50 1xhn s LYS 171 N -2.18 4.04 -0.09 5.54 1.02 0.10 -4.91 119.74 123.26 1xhn s LYS 171 Ca 0.56 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 56.04 1xhn s LYS 171 Cb -0.38 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1xhn s LYS 171 CO 0.49 0.13 0.61 0.42 -0.92 0.00 0.00 175.35 176.08 1xhn s ILE 172 N 0.83 5.11 -0.05 2.17 1.09 -1.26 -0.40 121.20 128.68 1xhn s ILE 172 Ca 0.06 1.24 0.06 0.00 -1.10 0.00 0.00 60.65 60.91 1xhn s ILE 172 Cb -0.13 -3.95 -0.02 0.00 -1.06 0.00 0.00 42.46 37.31 1xhn s ILE 172 CO 0.02 0.28 -0.23 -0.69 -0.10 0.00 0.00 174.94 174.23 1xhn s VAL 173 N 0.73 2.29 0.44 2.92 1.01 -0.89 -5.01 120.40 121.90 1xhn s VAL 173 Ca 0.33 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1xhn s VAL 173 Cb -0.17 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 1xhn s VAL 173 CO 0.15 0.57 0.85 0.42 0.00 0.00 0.00 175.10 177.09 1xhn s THR 174 N -0.33 4.67 0.28 3.92 -4.23 -1.26 -3.63 115.64 115.07 1xhn s THR 174 Ca 0.02 0.89 0.03 0.00 -1.18 0.00 0.00 61.69 61.44 1xhn s THR 174 Cb -0.12 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.27 1xhn s THR 174 CO 0.02 -0.56 1.75 -0.65 -0.54 0.00 0.00 174.62 174.64 1xhn h PRO 175 N 1.21 0.58 -0.34 3.99 0.11 -1.87 -1.15 132.00 134.53 1xhn h PRO 175 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1xhn h PRO 175 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1xhn h PRO 175 CO 0.63 0.38 0.16 1.05 -0.21 0.00 0.00 178.00 180.01 1xhn h GLU 176 N 0.60 0.49 0.34 1.05 9.09 -1.95 -0.56 114.58 123.64 1xhn h GLU 176 Ca 0.53 -0.08 -0.00 0.00 0.05 0.00 0.00 59.36 59.86 1xhn h GLU 176 Cb 0.86 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.86 1xhn h GLU 176 CO -0.42 0.45 -0.30 0.93 0.05 0.00 0.00 179.01 179.73 1xhn h GLU 177 N 0.40 -0.63 -0.80 1.06 5.08 -1.82 0.10 114.58 117.99 1xhn h GLU 177 Ca 0.11 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.70 1xhn h GLU 177 Cb 0.13 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.41 1xhn h GLU 177 CO -0.01 -0.42 0.24 -0.92 -1.00 0.00 0.00 179.01 176.90 1xhn h TYR 178 N -0.65 0.39 0.00 4.33 3.20 -1.06 -2.70 116.97 120.47 1xhn h TYR 178 Ca -0.02 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1xhn h TYR 178 Cb 0.58 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1xhn h TYR 178 CO -0.16 -0.08 -0.72 1.88 -1.64 0.00 0.00 178.16 177.44 1xhn h TYR 179 N 0.31 0.00 -0.15 -3.82 0.05 -0.67 -3.33 116.97 109.36 1xhn h TYR 179 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.25 1xhn h TYR 179 Cb 0.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.57 1xhn h TYR 179 CO -0.23 0.59 0.00 0.09 -1.05 0.00 0.00 178.16 177.56 1xhn n ASN 180 N -3.19 1.50 -4.68 3.88 4.13 0.32 -4.94 115.26 112.28 1xhn n ASN 180 Ca -0.00 -1.68 -0.49 0.00 1.68 0.00 0.00 54.58 54.09 1xhn n ASN 180 Cb 0.78 -0.09 -0.05 0.00 -1.54 0.00 0.00 39.78 38.88 1xhn n ASN 180 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1xhn n VAL 181 N 0.21 0.40 0.45 2.41 0.31 -1.14 -5.06 118.33 115.92 1xhn n VAL 181 Ca 0.16 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.45 1xhn n VAL 181 Cb 0.30 -1.67 0.21 0.00 -0.91 0.00 0.00 33.84 31.78 1xhn n VAL 181 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92