#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhn n LEU 13 N 0.00 3.50 -4.58 1.04 7.94 -1.26 -4.99 117.00 118.65 1xhn n LEU 13 Ca 0.00 1.01 -0.29 0.00 -1.11 0.00 0.00 56.01 55.62 1xhn n LEU 13 Cb 0.00 -1.43 0.21 0.00 0.53 0.00 0.00 43.42 42.72 1xhn n LEU 13 CO 0.00 -0.07 0.59 -2.84 -1.11 0.00 0.00 177.39 173.96 1xhn s PRO 14 N 2.78 -0.04 0.02 1.96 0.02 -1.26 -4.89 135.00 133.58 1xhn s PRO 14 Ca 0.86 0.94 -0.34 0.00 0.02 0.00 0.00 61.00 62.48 1xhn s PRO 14 Cb -0.63 -1.65 -0.12 0.00 0.02 0.00 0.00 34.50 32.12 1xhn s PRO 14 CO 0.44 -3.16 1.79 -2.30 -0.33 0.00 0.00 177.00 173.43 1xhn n PRO 15 N -4.54 2.28 -0.35 5.54 -0.02 -1.26 -4.86 135.00 131.79 1xhn n PRO 15 Ca 0.06 0.83 0.37 0.00 -2.02 0.00 0.00 63.50 62.73 1xhn n PRO 15 Cb 0.54 -2.66 0.75 0.00 -0.02 0.00 0.00 33.50 32.11 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 8.17 0.00 0.00 -0.52 3.08 -1.91 0.53 114.38 123.73 1xhn h ARG 16 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 1xhn h ARG 16 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1xhn h ARG 16 CO 0.93 0.00 -0.33 1.05 -1.07 0.00 0.00 179.97 180.55 1xhn h GLU 17 N 0.00 0.00 -4.52 0.04 4.11 -1.95 -3.35 114.58 108.91 1xhn h GLU 17 Ca 0.59 0.00 -0.75 0.00 0.07 0.00 0.00 59.36 59.27 1xhn h GLU 17 Cb 2.43 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 31.48 1xhn h GLU 17 CO -0.01 0.33 1.19 0.34 0.07 0.00 0.00 179.01 180.93 1xhn s ASP 18 N -6.52 7.13 0.33 3.06 -1.08 0.19 -4.83 116.67 114.94 1xhn s ASP 18 Ca -0.01 -3.13 0.01 0.00 -0.52 0.00 0.00 52.55 48.90 1xhn s ASP 18 Cb 0.12 -2.36 0.56 0.00 -1.46 0.00 0.00 42.92 39.78 1xhn s ASP 18 CO 0.68 -0.65 1.98 0.00 0.52 0.00 0.00 175.17 177.70 1xhn h ALA 19 N 7.04 1.48 -0.51 3.66 0.00 -1.78 -1.37 119.26 127.76 1xhn h ALA 19 Ca 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1xhn h ALA 19 Cb 0.87 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xhn h ALA 19 CO 1.20 0.47 0.21 0.00 0.00 0.00 0.00 179.25 181.13 1xhn h ALA 20 N 1.55 0.67 -0.56 0.00 0.00 -1.92 -0.53 119.26 118.46 1xhn h ALA 20 Ca 0.25 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1xhn h ALA 20 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1xhn h ALA 20 CO -0.05 0.28 -0.04 -0.09 0.00 0.00 0.00 179.25 179.35 1xhn h ARG 21 N 0.69 1.01 -0.26 0.00 2.43 -1.80 -1.41 114.38 115.04 1xhn h ARG 21 Ca 0.17 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1xhn h ARG 21 Cb 0.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1xhn h ARG 21 CO -0.01 1.01 0.14 0.28 -1.51 0.00 0.00 179.97 179.88 1xhn h VAL 22 N 0.91 1.12 -0.71 0.20 2.07 -1.14 -0.44 116.25 118.27 1xhn h VAL 22 Ca 0.16 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1xhn h VAL 22 Cb 0.58 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1xhn h VAL 22 CO 0.03 0.12 0.41 0.00 0.02 0.00 0.00 177.57 178.15 1xhn h ALA 23 N 1.02 0.95 -0.34 1.67 0.00 -0.93 -1.36 119.26 120.28 1xhn h ALA 23 Ca 0.09 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xhn h ALA 23 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xhn h ALA 23 CO -0.01 0.11 -0.27 0.00 0.00 0.00 0.00 179.25 179.08 1xhn h ARG 24 N 0.76 0.69 -0.04 0.00 2.47 -0.83 -1.64 114.38 115.79 1xhn h ARG 24 Ca 0.31 -0.29 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1xhn h ARG 24 Cb 0.16 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 1xhn h ARG 24 CO -0.17 0.88 -0.10 0.35 0.56 0.00 0.00 179.97 181.49 1xhn h PHE 25 N 0.60 -0.26 -0.13 3.04 3.04 -0.53 -1.89 116.94 120.81 1xhn h PHE 25 Ca 0.08 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.04 1xhn h PHE 25 Cb 0.76 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 1xhn h PHE 25 CO 0.04 -0.16 0.07 0.28 -2.02 0.00 0.00 178.31 176.52 1xhn h VAL 26 N -0.16 1.07 -0.53 1.41 2.07 -0.92 -1.34 116.25 117.85 1xhn h VAL 26 Ca 0.05 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.48 1xhn h VAL 26 Cb 0.23 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1xhn h VAL 26 CO -0.14 0.07 0.09 0.74 0.02 0.00 0.00 177.57 178.35 1xhn h THR 27 N 0.13 0.67 -0.56 2.57 2.02 -1.33 -2.40 112.91 114.01 1xhn h THR 27 Ca 0.04 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1xhn h THR 27 Cb 0.04 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1xhn h THR 27 CO -0.01 0.04 0.13 -0.74 0.37 0.00 0.00 175.52 175.31 1xhn h HIS 28 N 0.21 0.94 0.00 3.16 -0.00 -0.94 -2.96 115.15 115.56 1xhn h HIS 28 Ca 0.27 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1xhn h HIS 28 Cb 0.39 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1xhn h HIS 28 CO -0.25 0.81 0.00 1.33 -0.00 0.00 0.00 177.93 179.82 1xhn n VAL 29 N -4.39 0.02 -2.93 5.26 0.24 -0.54 -4.81 118.33 111.17 1xhn n VAL 29 Ca 0.02 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.92 1xhn n VAL 29 Cb 0.24 -0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 32.06 1xhn n VAL 29 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1xhn s SER 30 N -2.87 7.09 0.00 -1.34 0.01 -0.92 -4.93 113.70 110.74 1xhn s SER 30 Ca 0.18 1.32 0.23 0.00 1.31 0.00 0.00 55.95 58.99 1xhn s SER 30 Cb 0.19 -2.46 0.12 0.00 0.21 0.00 0.00 66.02 64.08 1xhn s SER 30 CO 0.50 -0.19 1.15 0.47 0.41 0.00 0.00 173.24 175.58 1xhn n ASP 31 N 4.00 1.16 -3.79 2.44 8.00 -1.26 -4.67 116.55 122.41 1xhn n ASP 31 Ca 0.02 -0.95 -0.09 0.00 0.71 0.00 0.00 54.79 54.47 1xhn n ASP 31 Cb 0.51 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.80 0.19 0.33 1.24 1.48 -1.26 -1.28 118.94 116.84 1xhn s TRP 32 Ca 0.14 -0.61 -0.18 0.00 -1.06 0.00 0.00 56.10 54.38 1xhn s TRP 32 Cb 0.17 0.42 0.04 0.00 -1.16 0.00 0.00 33.47 32.95 1xhn s TRP 32 CO 0.71 -1.15 0.78 0.20 -4.06 0.00 0.00 176.95 173.43 1xhn s GLY 33 N -3.00 0.16 -0.16 3.67 0.00 -0.21 -4.83 107.32 102.94 1xhn s GLY 33 Ca 0.18 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 44.30 1xhn s GLY 33 CO 0.09 -0.11 0.10 0.00 0.00 0.00 0.00 173.10 173.19 1xhn s ALA 34 N -2.98 3.64 -0.17 3.20 0.00 -0.68 -1.64 121.76 123.14 1xhn s ALA 34 Ca 0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1xhn s ALA 34 Cb -0.05 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1xhn s ALA 34 CO 0.09 0.36 -0.12 -1.17 0.00 0.00 0.00 175.76 174.92 1xhn s LEU 35 N -0.21 2.66 -0.16 0.00 2.96 -0.10 -1.05 118.68 122.79 1xhn s LEU 35 Ca 0.10 -0.41 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 1xhn s LEU 35 Cb -0.12 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1xhn s LEU 35 CO 0.01 0.08 0.44 0.00 -1.32 0.00 0.00 176.35 175.56 1xhn s ALA 36 N 0.88 3.52 0.35 5.97 0.00 0.08 -1.81 121.76 130.75 1xhn s ALA 36 Ca -0.03 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1xhn s ALA 36 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1xhn s ALA 36 CO -0.00 -0.12 0.14 0.95 0.00 0.00 0.00 175.76 176.72 1xhn s THR 37 N 0.92 0.55 -0.21 0.00 -4.23 -0.47 -1.75 115.64 110.45 1xhn s THR 37 Ca 0.23 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.54 1xhn s THR 37 Cb -0.15 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1xhn s THR 37 CO 0.09 0.00 0.58 -0.63 -0.54 0.00 0.00 174.62 174.11 1xhn s ILE 38 N -3.39 5.05 0.29 2.99 1.01 -1.26 0.06 121.20 125.95 1xhn s ILE 38 Ca 0.31 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 1xhn s ILE 38 Cb 0.04 -3.89 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 1xhn s ILE 38 CO 0.16 0.12 1.32 -0.55 0.00 0.00 0.00 174.94 175.99 1xhn s SER 39 N 1.24 6.81 -0.05 3.58 0.15 0.93 -4.71 113.70 121.66 1xhn s SER 39 Ca 0.26 2.60 0.13 0.00 0.70 0.00 0.00 55.95 59.65 1xhn s SER 39 Cb -0.16 -2.64 0.41 0.00 -1.71 0.00 0.00 66.02 61.93 1xhn s SER 39 CO 0.10 -0.54 1.34 0.35 1.20 0.00 0.00 173.24 175.69 1xhn n THR 40 N 1.44 1.35 -2.40 6.45 -2.24 -1.26 -1.54 114.28 116.08 1xhn n THR 40 Ca 0.02 -1.21 -0.41 0.00 -2.27 0.00 0.00 64.05 60.19 1xhn n THR 40 Cb 0.42 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.47 4.49 0.14 3.22 1.43 -1.26 -4.88 118.68 120.35 1xhn s LEU 41 Ca 0.31 2.28 -0.25 0.00 -1.03 0.00 0.00 54.13 55.44 1xhn s LEU 41 Cb 0.19 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1xhn s LEU 41 CO 0.16 -0.29 1.62 -0.33 0.23 0.00 0.00 176.35 177.74 1xhn h GLU 42 N 4.52 -0.34 -1.00 1.70 4.39 -1.98 0.28 114.58 122.14 1xhn h GLU 42 Ca -0.46 0.02 0.22 0.00 0.34 0.00 0.00 59.36 59.48 1xhn h GLU 42 Cb 1.21 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.83 1xhn h GLU 42 CO 0.71 -0.23 0.61 0.00 -1.16 0.00 0.00 179.01 178.94 1xhn h ALA 43 N 0.53 1.75 -0.49 3.43 0.00 -2.02 -3.05 119.26 119.41 1xhn h ALA 43 Ca 0.11 0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.75 1xhn h ALA 43 Cb 0.52 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 17.94 1xhn h ALA 43 CO -0.37 -0.17 -0.81 1.33 0.00 0.00 0.00 179.25 179.24 1xhn n VAL 44 N -4.81 2.12 -1.73 0.00 0.24 -0.80 -5.10 118.33 108.25 1xhn n VAL 44 Ca 0.25 -3.62 -0.42 0.00 -2.04 0.00 0.00 64.34 58.50 1xhn n VAL 44 Cb 0.66 -0.45 -0.02 0.00 -1.47 0.00 0.00 33.84 32.56 1xhn n VAL 44 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xhn n ARG 45 N -0.71 2.68 0.00 7.34 0.63 0.92 -1.74 116.66 125.78 1xhn n ARG 45 Ca 0.31 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.19 1xhn n ARG 45 Cb 0.89 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 31.05 1xhn n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xhn n GLY 46 N 2.63 2.41 3.81 5.14 0.00 -0.59 -4.98 105.19 113.61 1xhn n GLY 46 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.25 4.20 0.26 1.61 3.00 -0.71 -4.67 118.95 122.40 1xhn s ARG 47 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 55.73 56.66 1xhn s ARG 47 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 34.95 32.57 1xhn s ARG 47 CO 0.00 -0.06 1.37 -1.25 0.00 0.00 0.00 175.30 175.36 1xhn s PRO 48 N -2.97 4.32 0.04 3.54 0.04 -1.26 -0.05 135.00 138.66 1xhn s PRO 48 Ca 0.61 2.22 0.07 0.00 0.04 0.00 0.00 61.00 63.93 1xhn s PRO 48 Cb -0.13 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1xhn s PRO 48 CO 0.17 -0.31 -0.20 0.12 0.04 0.00 0.00 177.00 176.82 1xhn s PHE 49 N -0.32 1.73 0.12 0.56 5.36 0.11 -4.82 117.98 120.72 1xhn s PHE 49 Ca 0.56 -0.37 0.11 0.00 -0.96 0.00 0.00 56.93 56.27 1xhn s PHE 49 Cb -0.40 -1.04 -0.04 0.00 -0.34 0.00 0.00 43.02 41.20 1xhn s PHE 49 CO 0.45 0.07 -0.27 0.00 -1.46 0.00 0.00 175.22 174.01 1xhn s ALA 50 N -0.77 2.37 0.15 11.12 0.00 -1.26 -1.36 121.76 132.01 1xhn s ALA 50 Ca 0.07 -1.45 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 1xhn s ALA 50 Cb -0.09 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.69 1xhn s ALA 50 CO 0.01 0.54 0.49 0.34 0.00 0.00 0.00 175.76 177.15 1xhn s ASP 51 N -2.00 -0.35 -0.16 0.00 2.15 -0.75 -4.98 116.67 110.58 1xhn s ASP 51 Ca 0.14 -0.26 -0.04 0.00 0.43 0.00 0.00 52.55 52.82 1xhn s ASP 51 Cb -0.10 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.03 1xhn s ASP 51 CO 0.06 -0.94 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.40 1xhn s VAL 52 N -3.80 3.97 -0.02 1.11 1.01 -1.26 -0.92 120.40 120.49 1xhn s VAL 52 Ca 0.04 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1xhn s VAL 52 Cb 0.00 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1xhn s VAL 52 CO -0.10 0.49 -0.19 -0.76 0.00 0.00 0.00 175.10 174.53 1xhn s LEU 53 N 0.40 2.01 0.47 3.92 1.43 -0.65 -4.99 118.68 121.27 1xhn s LEU 53 Ca -0.03 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 1xhn s LEU 53 Cb -0.14 -1.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 1xhn s LEU 53 CO 0.03 0.22 1.11 -0.44 0.23 0.00 0.00 176.35 177.50 1xhn s SER 54 N -0.34 6.23 0.11 2.29 0.01 -1.26 -1.05 113.70 119.68 1xhn s SER 54 Ca 0.05 2.16 -0.11 0.00 1.31 0.00 0.00 55.95 59.36 1xhn s SER 54 Cb -0.09 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.57 1xhn s SER 54 CO 0.00 -0.87 0.26 -1.48 0.41 0.00 0.00 173.24 171.56 1xhn s LEU 55 N -3.18 1.08 -0.20 2.44 0.05 -0.41 -4.53 118.68 113.93 1xhn s LEU 55 Ca 0.65 -0.57 -0.20 0.00 0.05 0.00 0.00 54.13 54.06 1xhn s LEU 55 Cb -0.24 1.29 0.05 0.00 -2.05 0.00 0.00 46.19 45.24 1xhn s LEU 55 CO 0.29 -0.78 0.56 -0.55 -0.55 0.00 0.00 176.35 175.32 1xhn s SER 56 N -2.85 -0.58 -0.06 1.48 0.15 -1.01 -4.33 113.70 106.50 1xhn s SER 56 Ca 0.05 1.09 0.17 0.00 0.70 0.00 0.00 55.95 57.96 1xhn s SER 56 Cb 0.04 1.11 0.55 0.00 -1.71 0.00 0.00 66.02 66.01 1xhn s SER 56 CO -0.10 -0.22 1.47 -0.90 1.20 0.00 0.00 173.24 174.69 1xhn n ASP 57 N 2.67 3.90 0.00 5.45 5.75 -1.25 -1.96 116.55 131.12 1xhn n ASP 57 Ca -0.14 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1xhn n ASP 57 Cb 0.56 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 0.89 1.91 3.75 6.12 0.00 -1.26 -0.58 105.19 116.01 1xhn n GLY 58 Ca 0.21 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.46 1.69 0.17 1.61 0.04 -1.26 -4.75 135.00 131.04 1xhn s PRO 59 Ca 0.00 0.84 -0.03 0.00 0.04 0.00 0.00 61.00 61.85 1xhn s PRO 59 Cb 0.00 -1.86 0.33 0.00 0.04 0.00 0.00 34.50 33.01 1xhn s PRO 59 CO 0.00 -1.95 0.91 -2.30 0.04 0.00 0.00 177.00 173.70 1xhn n PRO 60 N -3.69 -0.05 -0.01 0.56 -0.02 -1.26 -0.67 135.00 129.86 1xhn n PRO 60 Ca 0.07 0.90 0.13 0.00 -2.02 0.00 0.00 63.50 62.59 1xhn n PRO 60 Cb 0.55 -1.37 0.43 0.00 -0.02 0.00 0.00 33.50 33.09 1xhn n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhn n GLY 61 N -1.34 0.24 2.38 -1.23 0.00 -1.26 -4.69 105.19 99.28 1xhn n GLY 61 Ca 0.11 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1xhn n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhn n ALA 62 N 0.44 1.12 -2.65 4.61 0.00 0.15 -5.10 120.51 119.08 1xhn n ALA 62 Ca 0.18 -2.73 -0.43 0.00 0.00 0.00 0.00 53.44 50.46 1xhn n ALA 62 Cb 0.41 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1xhn n ALA 62 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xhn s GLY 63 N -1.54 1.69 0.15 0.00 0.00 -1.25 -4.00 107.32 102.37 1xhn s GLY 63 Ca 0.34 0.08 0.26 0.00 0.00 0.00 0.00 44.72 45.40 1xhn s GLY 63 CO -0.13 2.12 1.61 -1.14 0.00 0.00 0.00 173.10 175.56 1xhn n SER 64 N 6.33 0.70 0.00 1.64 3.41 0.25 -4.92 113.62 121.03 1xhn n SER 64 Ca 0.11 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1xhn n SER 64 Cb 0.46 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.34 2.56 3.63 5.00 0.00 -1.26 -4.92 105.19 111.53 1xhn n GLY 65 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.32 4.33 -0.43 1.61 1.01 -1.26 -4.98 120.40 118.36 1xhn s VAL 66 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.18 1xhn s VAL 66 Cb 0.00 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1xhn s VAL 66 CO 0.00 -0.59 1.28 -2.84 0.00 0.00 0.00 175.10 172.96 1xhn s PRO 67 N 3.99 3.66 0.10 2.72 0.02 -1.26 -3.74 135.00 140.49 1xhn s PRO 67 Ca 0.49 0.80 -0.06 0.00 0.02 0.00 0.00 61.00 62.25 1xhn s PRO 67 Cb -0.13 -3.96 -0.05 0.00 0.02 0.00 0.00 34.50 30.38 1xhn s PRO 67 CO 0.21 -1.46 0.36 0.71 -0.33 0.00 0.00 177.00 176.49 1xhn s TYR 68 N 4.94 3.53 0.14 6.54 1.51 -0.83 -0.96 117.35 132.22 1xhn s TYR 68 Ca 0.55 0.62 0.05 0.00 -1.01 0.00 0.00 57.07 57.29 1xhn s TYR 68 Cb -0.11 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1xhn s TYR 68 CO 0.31 0.50 -0.12 -0.06 -1.11 0.00 0.00 175.55 175.07 1xhn s PHE 69 N -1.51 1.37 -0.23 2.71 0.08 -0.12 -2.41 117.98 117.87 1xhn s PHE 69 Ca 0.36 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.79 1xhn s PHE 69 Cb -0.13 -0.70 0.05 0.00 -0.57 0.00 0.00 43.02 41.68 1xhn s PHE 69 CO 0.21 0.15 -0.11 -0.47 -0.10 0.00 0.00 175.22 174.89 1xhn s TYR 70 N -2.76 2.93 0.20 0.36 5.04 -1.26 -1.06 117.35 120.80 1xhn s TYR 70 Ca 0.14 -2.02 0.07 0.00 -2.44 0.00 0.00 57.07 52.82 1xhn s TYR 70 Cb -0.01 -1.83 -0.05 0.00 0.35 0.00 0.00 41.96 40.42 1xhn s TYR 70 CO 0.02 -0.83 -0.11 -0.51 -1.34 0.00 0.00 175.55 172.78 1xhn s LEU 71 N 1.22 2.51 0.05 6.97 1.43 -0.33 -4.91 118.68 125.63 1xhn s LEU 71 Ca -0.05 -1.06 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 1xhn s LEU 71 Cb -0.18 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 1xhn s LEU 71 CO -0.07 -0.25 -0.23 -0.55 0.23 0.00 0.00 176.35 175.48 1xhn s SER 72 N -3.30 2.73 0.37 2.29 0.15 -1.26 -0.27 113.70 114.41 1xhn s SER 72 Ca 0.23 -0.57 0.25 0.00 0.70 0.00 0.00 55.95 56.55 1xhn s SER 72 Cb 0.01 -0.22 1.34 0.00 -1.71 0.00 0.00 66.02 65.44 1xhn s SER 72 CO 0.06 0.18 1.75 -0.65 1.20 0.00 0.00 173.24 175.79 1xhn h PRO 73 N 4.73 0.00 0.00 5.44 0.11 -1.76 -1.61 132.00 138.91 1xhn h PRO 73 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xhn h PRO 73 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xhn h PRO 73 CO 0.43 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.15 1xhn h LEU 74 N 0.00 0.00 -9.56 2.35 3.38 -1.95 -3.41 115.31 106.11 1xhn h LEU 74 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1xhn h LEU 74 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xhn h LEU 74 CO 0.00 0.00 0.56 -1.10 0.09 0.00 0.00 178.44 177.99 1xhn s GLN 75 N -3.44 4.46 0.28 1.13 -0.21 -0.61 -4.91 119.66 116.37 1xhn s GLN 75 Ca 0.04 1.81 0.01 0.00 0.02 0.00 0.00 55.36 57.24 1xhn s GLN 75 Cb 0.08 -3.30 0.68 0.00 1.00 0.00 0.00 33.01 31.47 1xhn s GLN 75 CO 0.55 -0.17 1.65 -0.07 -2.12 0.00 0.00 175.29 175.12 1xhn h LEU 76 N 6.10 -0.01 -0.84 2.90 3.38 -1.89 -0.47 115.31 124.47 1xhn h LEU 76 Ca -0.43 0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1xhn h LEU 76 Cb 1.21 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1xhn h LEU 76 CO 0.78 -0.15 -0.28 0.28 0.09 0.00 0.00 178.44 179.17 1xhn h SER 77 N 0.21 0.55 -0.09 -0.43 0.02 -1.95 -2.32 113.55 109.54 1xhn h SER 77 Ca 0.54 -0.20 -0.17 0.00 -0.84 0.00 0.00 61.79 61.12 1xhn h SER 77 Cb 1.06 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 1xhn h SER 77 CO -0.65 0.81 -0.52 0.58 -1.14 0.00 0.00 176.83 175.91 1xhn h VAL 78 N 0.47 1.30 -0.98 2.27 2.07 -1.59 -0.92 116.25 118.88 1xhn h VAL 78 Ca 0.06 -1.74 0.05 0.00 0.82 0.00 0.00 66.70 65.89 1xhn h VAL 78 Cb 0.73 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1xhn h VAL 78 CO 0.06 0.55 0.64 -1.28 0.02 0.00 0.00 177.57 177.55 1xhn h SER 79 N 0.52 1.03 -0.25 0.57 0.87 -0.98 -0.50 113.55 114.81 1xhn h SER 79 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1xhn h SER 79 Cb 1.09 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1xhn h SER 79 CO 0.11 0.68 0.10 0.78 -0.53 0.00 0.00 176.83 177.96 1xhn h ASN 80 N 1.17 0.34 -0.38 6.23 2.35 -1.17 -3.08 115.58 121.04 1xhn h ASN 80 Ca 0.41 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1xhn h ASN 80 Cb 0.11 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1xhn h ASN 80 CO -0.15 0.40 0.12 -0.07 -1.65 0.00 0.00 177.43 176.09 1xhn h LEU 81 N 0.25 0.61 -2.43 1.61 3.38 -0.77 -1.08 115.31 116.88 1xhn h LEU 81 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xhn h LEU 81 Cb 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xhn h LEU 81 CO -0.01 0.60 -0.01 1.56 0.09 0.00 0.00 178.44 180.68 1xhn h GLN 82 N 0.65 0.00 0.00 1.13 1.08 -1.01 -2.94 115.11 114.02 1xhn h GLN 82 Ca 0.15 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.05 1xhn h GLN 82 Cb 0.23 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 1xhn h GLN 82 CO -0.01 0.01 -2.15 0.39 -0.95 0.00 0.00 178.83 176.12 1xhn n GLU 83 N -3.84 0.67 -3.22 1.46 -0.58 -0.70 -4.91 120.64 109.52 1xhn n GLU 83 Ca -0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1xhn n GLU 83 Cb 0.09 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 1xhn n GLU 83 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1xhn s ASN 84 N -5.51 -0.85 0.00 1.62 3.84 -0.49 -5.05 114.94 108.50 1xhn s ASN 84 Ca -0.08 0.51 0.29 0.00 0.21 0.00 0.00 52.86 53.78 1xhn s ASN 84 Cb 0.07 1.79 1.65 0.00 -0.55 0.00 0.00 41.25 44.21 1xhn s ASN 84 CO 0.84 -0.28 2.05 -0.81 -2.79 0.00 0.00 177.10 176.10 1xhn n PRO 85 N 5.40 0.77 -2.25 0.43 -0.04 -1.13 -4.05 135.00 134.14 1xhn n PRO 85 Ca -0.01 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1xhn n PRO 85 Cb 0.51 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1xhn n PRO 85 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xhn s TYR 86 N -2.17 3.28 0.12 0.54 4.12 -1.26 -1.20 117.35 120.78 1xhn s TYR 86 Ca 0.39 1.35 -0.19 0.00 0.02 0.00 0.00 57.07 58.64 1xhn s TYR 86 Cb 0.20 -3.56 0.05 0.00 -1.52 0.00 0.00 41.96 37.13 1xhn s TYR 86 CO 0.36 -1.62 0.47 0.00 0.02 0.00 0.00 175.55 174.79 1xhn s ALA 87 N -0.34 -1.17 -0.04 3.71 0.00 -0.53 -4.56 121.76 118.83 1xhn s ALA 87 Ca 0.53 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1xhn s ALA 87 Cb -0.36 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1xhn s ALA 87 CO 0.41 -0.66 -0.12 0.99 0.00 0.00 0.00 175.76 176.39 1xhn s THR 88 N -3.60 1.03 -0.14 0.00 2.01 -0.72 -1.94 115.64 112.28 1xhn s THR 88 Ca 0.01 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 1xhn s THR 88 Cb 0.01 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1xhn s THR 88 CO -0.11 0.31 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.83 1xhn s LEU 89 N 0.22 3.01 0.46 4.42 2.96 1.00 -0.74 118.68 129.99 1xhn s LEU 89 Ca -0.05 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1xhn s LEU 89 Cb -0.11 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1xhn s LEU 89 CO 0.01 0.17 0.02 0.28 -1.32 0.00 0.00 176.35 175.52 1xhn s THR 90 N 0.32 1.37 -0.24 3.68 -1.32 -0.21 -0.27 115.64 118.98 1xhn s THR 90 Ca -0.07 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.13 1xhn s THR 90 Cb -0.15 -2.49 0.15 0.00 -1.51 0.00 0.00 72.50 68.51 1xhn s THR 90 CO 0.04 0.00 1.18 0.28 -2.21 0.00 0.00 174.62 173.91 1xhn s THR 92 N -2.88 0.00 -0.39 5.08 -1.32 -1.26 -1.69 115.64 113.17 1xhn s THR 92 Ca 0.19 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.88 1xhn s THR 92 Cb 0.05 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.25 1xhn s THR 92 CO 0.10 0.00 1.63 0.18 -2.21 0.00 0.00 174.62 174.32 1xhn n LEU 93 N 1.14 0.55 0.13 9.08 4.77 0.73 -1.49 117.00 131.90 1xhn n LEU 93 Ca -0.08 0.70 0.10 0.00 -0.03 0.00 0.00 56.01 56.69 1xhn n LEU 93 Cb 0.58 -0.70 0.49 0.00 -2.33 0.00 0.00 43.42 41.45 1xhn n LEU 93 CO 0.08 -0.74 0.79 0.00 -1.33 0.00 0.00 177.39 176.20 1xhn n ALA 94 N -1.75 1.22 0.40 -1.18 0.00 -1.26 -0.11 120.51 117.82 1xhn n ALA 94 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.71 1xhn n ALA 94 Cb 0.12 -1.29 0.51 0.00 0.00 0.00 0.00 19.45 18.79 1xhn n ALA 94 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1xhn h GLN 95 N 0.00 0.00 0.00 0.00 4.20 -1.66 -3.44 115.11 114.21 1xhn h GLN 95 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xhn h GLN 95 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1xhn h GLN 95 CO 0.00 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 1xhn n THR 96 N -2.43 0.00 1.65 -0.54 -2.24 0.84 -5.00 114.28 106.56 1xhn n THR 96 Ca 0.02 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.95 1xhn n THR 96 Cb 0.27 -0.90 0.67 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.41 0.88 -0.15 3.42 5.15 -1.26 -4.56 115.26 116.33 1xhn n ASN 97 Ca 0.00 -1.22 -0.04 0.00 -0.60 0.00 0.00 54.58 52.72 1xhn n ASN 97 Cb 0.00 -0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.30 1xhn n ASN 97 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1xhn h PHE 98 N 1.35 0.34 -0.14 1.20 3.57 -1.92 -1.10 116.94 120.24 1xhn h PHE 98 Ca 0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1xhn h PHE 98 Cb 0.32 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xhn h PHE 98 CO 0.00 0.13 -0.44 0.00 -2.23 0.00 0.00 178.31 175.78 1xhn h LYS 100 N 0.16 0.19 -0.84 0.00 1.57 -1.76 0.39 116.57 116.28 1xhn h LYS 100 Ca -0.02 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1xhn h LYS 100 Cb 1.06 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.26 1xhn h LYS 100 CO 0.09 0.13 0.50 -0.22 -0.57 0.00 0.00 179.45 179.38 1xhn h LYS 101 N 0.20 0.84 -0.13 3.15 3.64 -1.15 -1.78 116.57 121.33 1xhn h LYS 101 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1xhn h LYS 101 Cb 0.28 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1xhn h LYS 101 CO -0.30 0.56 0.00 0.72 -2.27 0.00 0.00 179.45 178.16 1xhn n HIS 102 N -4.69 0.15 -2.33 1.91 8.25 -1.12 -4.96 115.22 112.43 1xhn n HIS 102 Ca 0.13 -0.08 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 1xhn n HIS 102 Cb 0.24 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 1.31 -0.28 3.71 -1.41 0.00 -0.15 -4.98 105.19 103.38 1xhn n GLY 103 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.01 3.58 0.44 1.61 0.08 -0.06 -5.00 117.98 115.63 1xhn s PHE 104 Ca 0.00 1.61 -0.26 0.00 0.12 0.00 0.00 56.93 58.40 1xhn s PHE 104 Cb 0.00 -3.19 -0.08 0.00 -0.57 0.00 0.00 43.02 39.18 1xhn s PHE 104 CO 0.00 -0.28 1.43 0.34 -0.10 0.00 0.00 175.22 176.61 1xhn s ASP 105 N 1.05 5.93 0.54 1.36 -1.08 -1.26 -4.52 116.67 118.69 1xhn s ASP 105 Ca 0.52 2.92 0.29 0.00 -0.52 0.00 0.00 52.55 55.76 1xhn s ASP 105 Cb -0.22 -2.65 1.45 0.00 -1.46 0.00 0.00 42.92 40.04 1xhn s ASP 105 CO 0.26 -1.14 1.94 -0.65 0.52 0.00 0.00 175.17 176.10 1xhn h PRO 106 N 2.40 0.00 -0.00 4.34 0.11 -1.95 -0.91 132.00 135.98 1xhn h PRO 106 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xhn h PRO 106 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xhn h PRO 106 CO 0.61 0.00 -0.52 0.94 -0.21 0.00 0.00 178.00 178.82 1xhn n GLN 107 N -4.30 0.12 -2.16 1.05 7.27 -1.26 -4.81 117.38 113.28 1xhn n GLN 107 Ca 0.15 -0.07 -0.41 0.00 0.07 0.00 0.00 57.00 56.73 1xhn n GLN 107 Cb 0.81 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.93 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 -2.93 6.83 0.35 1.69 0.15 -0.35 -4.91 113.70 114.53 1xhn s SER 108 Ca 0.12 2.49 0.25 0.00 0.70 0.00 0.00 55.95 59.52 1xhn s SER 108 Cb 0.18 -2.62 1.24 0.00 -1.71 0.00 0.00 66.02 63.11 1xhn s SER 108 CO 0.69 -0.56 1.76 1.55 1.20 0.00 0.00 173.24 177.88 1xhn h PRO 109 N 5.07 0.00 -0.11 5.44 0.13 -1.87 -0.16 132.00 140.50 1xhn h PRO 109 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1xhn h PRO 109 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1xhn h PRO 109 CO 0.76 0.00 -0.38 -0.07 -0.23 0.00 0.00 178.00 178.08 1xhn h LEU 110 N 0.00 0.24 -8.07 1.56 3.38 -1.85 -3.25 115.31 107.31 1xhn h LEU 110 Ca 0.00 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 57.30 1xhn h LEU 110 Cb 0.14 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1xhn h LEU 110 CO 0.00 0.61 1.53 0.00 0.09 0.00 0.00 178.44 180.67 1xhn n VAL 112 N 6.94 0.22 -4.09 0.00 0.31 -1.25 -4.73 118.33 115.73 1xhn n VAL 112 Ca 0.37 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.52 1xhn n VAL 112 Cb 0.49 -1.49 -0.12 0.00 -0.91 0.00 0.00 33.84 31.82 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 2.15 0.75 0.00 3.52 -3.43 -1.15 -0.20 115.29 116.93 1xhn s HIS 113 Ca 0.86 -0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.65 1xhn s HIS 113 Cb -0.77 -0.44 0.00 0.00 -1.43 0.00 0.00 32.58 29.93 1xhn s HIS 113 CO 0.47 -0.06 0.00 0.44 -2.00 0.00 0.00 174.74 173.59 1xhn n ILE 114 N 1.51 0.00 -3.26 -5.38 -5.35 -1.26 -1.47 119.36 104.14 1xhn n ILE 114 Ca -0.22 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.29 1xhn n ILE 114 Cb 0.55 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.42 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 -0.50 0.04 7.28 1.43 0.63 -4.37 118.68 123.19 1xhn s LEU 116 Ca 0.00 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1xhn s LEU 116 Cb 0.00 1.50 -0.04 0.00 0.03 0.00 0.00 46.19 47.68 1xhn s LEU 116 CO 0.00 -0.09 0.02 -0.55 0.23 0.00 0.00 176.35 175.96 1xhn s SER 117 N 2.62 5.21 0.00 2.29 0.15 0.62 -0.00 113.70 124.59 1xhn s SER 117 Ca -0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1xhn s SER 117 Cb -0.07 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1xhn s SER 117 CO -0.15 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1xhn n GLY 118 N 0.92 -0.64 3.44 9.45 0.00 -0.82 0.64 105.19 118.19 1xhn n GLY 118 Ca -0.12 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 2.58 -0.24 2.61 -4.23 -0.43 -1.45 115.64 110.48 1xhn s THR 119 Ca 0.00 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 1xhn s THR 119 Cb 0.00 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1xhn s THR 119 CO 0.00 0.10 0.05 -0.69 -0.54 0.00 0.00 174.62 173.54 1xhn s VAL 120 N -1.10 4.17 0.17 2.29 1.01 -0.34 -0.22 120.40 126.38 1xhn s VAL 120 Ca 0.16 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1xhn s VAL 120 Cb -0.10 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1xhn s VAL 120 CO 0.08 0.36 -0.15 0.42 0.00 0.00 0.00 175.10 175.82 1xhn s THR 121 N 1.51 1.59 0.18 3.92 -4.23 -0.91 -4.87 115.64 112.84 1xhn s THR 121 Ca 0.06 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 1xhn s THR 121 Cb -0.15 -1.86 -0.09 0.00 1.34 0.00 0.00 72.50 71.75 1xhn s THR 121 CO 0.03 -0.51 1.31 -0.54 -0.54 0.00 0.00 174.62 174.36 1xhn s LYS 122 N -3.25 4.39 0.26 3.99 1.02 -1.26 -1.25 119.74 123.63 1xhn s LYS 122 Ca 0.17 2.04 -0.29 0.00 0.02 0.00 0.00 55.97 57.91 1xhn s LYS 122 Cb -0.02 -3.21 -0.10 0.00 -0.52 0.00 0.00 37.83 33.98 1xhn s LYS 122 CO 0.05 -0.27 1.31 0.08 -0.92 0.00 0.00 175.35 175.60 1xhn s VAL 123 N 0.24 2.96 0.71 3.17 1.01 0.48 -4.87 120.40 124.11 1xhn s VAL 123 Ca 0.57 0.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 1xhn s VAL 123 Cb -0.36 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.57 1xhn s VAL 123 CO 0.37 0.17 0.99 0.54 0.00 0.00 0.00 175.10 177.17 1xhn s ASN 124 N -0.09 4.48 0.53 3.32 2.20 -1.26 -4.86 114.94 119.26 1xhn s ASN 124 Ca 0.53 -0.08 0.22 0.00 -0.94 0.00 0.00 52.86 52.59 1xhn s ASN 124 Cb -0.38 -0.42 1.34 0.00 -2.00 0.00 0.00 41.25 39.80 1xhn s ASN 124 CO 0.45 -1.77 2.06 1.05 -2.94 0.00 0.00 177.10 175.95 1xhn h GLU 125 N -0.54 0.01 0.00 3.55 9.09 -2.02 -1.03 114.58 123.64 1xhn h GLU 125 Ca -0.40 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.01 1xhn h GLU 125 Cb 1.28 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1xhn h GLU 125 CO 0.46 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.77 1xhn n THR 126 N -4.44 0.74 -3.40 -1.06 -2.24 -1.26 -4.56 114.28 98.06 1xhn n THR 126 Ca 0.05 0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.65 1xhn n THR 126 Cb 0.40 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.60 1xhn n THR 126 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xhn n GLU 127 N -2.08 2.55 0.00 -0.78 2.13 -0.39 -4.88 120.64 117.19 1xhn n GLU 127 Ca 0.03 -4.67 0.00 0.00 0.66 0.00 0.00 57.16 53.18 1xhn n GLU 127 Cb 0.28 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.74 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 0.80 0.00 -0.14 4.31 8.00 -1.26 -1.99 116.55 126.27 1xhn n ASP 129 Ca 0.30 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.70 1xhn n ASP 129 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1xhn n ASP 129 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xhn h ILE 130 N 0.00 1.26 -0.55 0.53 2.10 -1.96 -1.14 117.51 117.74 1xhn h ILE 130 Ca 0.00 -1.02 -0.01 0.00 1.08 0.00 0.00 64.86 64.91 1xhn h ILE 130 Cb 0.00 1.11 -0.03 0.00 -1.09 0.00 0.00 36.82 36.82 1xhn h ILE 130 CO 0.00 0.35 0.30 0.00 -1.08 0.00 0.00 178.15 177.71 1xhn h ALA 131 N 0.89 0.71 -0.63 0.18 0.00 -1.83 -0.92 119.26 117.65 1xhn h ALA 131 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1xhn h ALA 131 Cb 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1xhn h ALA 131 CO 0.02 0.24 0.17 -0.22 0.00 0.00 0.00 179.25 179.46 1xhn h LYS 132 N 0.74 1.00 -0.14 0.00 3.64 -1.81 -0.23 116.57 119.78 1xhn h LYS 132 Ca 0.19 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1xhn h LYS 132 Cb 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1xhn h LYS 132 CO -0.03 0.90 -0.31 1.25 -2.27 0.00 0.00 179.45 178.99 1xhn h HIS 133 N 0.92 0.58 -0.73 1.91 2.76 -0.94 0.24 115.15 119.89 1xhn h HIS 133 Ca 0.20 -0.22 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1xhn h HIS 133 Cb 0.34 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.13 1xhn h HIS 133 CO 0.02 0.93 0.41 0.77 -1.30 0.00 0.00 177.93 178.76 1xhn h SER 134 N 0.06 0.59 0.02 3.26 0.02 -1.08 -2.60 113.55 113.81 1xhn h SER 134 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1xhn h SER 134 Cb 0.91 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1xhn h SER 134 CO 0.07 0.36 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.04 1xhn h LEU 135 N 0.72 -0.02 -1.00 5.07 3.38 -0.81 -3.28 115.31 119.38 1xhn h LEU 135 Ca 0.34 -0.76 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1xhn h LEU 135 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xhn h LEU 135 CO -0.22 0.82 -0.34 -0.26 0.09 0.00 0.00 178.44 178.54 1xhn h PHE 136 N -0.92 0.34 -0.17 1.13 -1.00 -0.54 0.30 116.94 116.08 1xhn h PHE 136 Ca -0.00 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 1xhn h PHE 136 Cb 0.78 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1xhn h PHE 136 CO 0.21 0.61 -0.14 0.82 -1.61 0.00 0.00 178.31 178.20 1xhn h ILE 137 N 0.26 1.19 0.00 -0.55 1.08 -1.62 -2.65 117.51 115.23 1xhn h ILE 137 Ca 0.03 -0.85 -0.13 0.00 -0.39 0.00 0.00 64.86 63.52 1xhn h ILE 137 Cb 0.73 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 1xhn h ILE 137 CO 0.06 0.27 -1.29 -0.09 -0.69 0.00 0.00 178.15 176.40 1xhn h ARG 138 N 0.26 0.00 -2.16 2.37 9.65 -1.39 -3.41 114.38 119.70 1xhn h ARG 138 Ca 0.05 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.35 1xhn h ARG 138 Cb 0.41 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.59 1xhn h ARG 138 CO 0.02 0.24 -0.92 0.72 2.80 0.00 0.00 179.97 182.83 1xhn n HIS 139 N -2.86 0.87 0.18 2.20 8.25 0.99 -4.99 115.22 119.86 1xhn n HIS 139 Ca -0.07 -3.74 0.17 0.00 -0.26 0.00 0.00 57.72 53.82 1xhn n HIS 139 Cb 0.78 -0.35 0.79 0.00 1.12 0.00 0.00 29.99 32.33 1xhn n HIS 139 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1xhn h PRO 140 N 4.33 0.00 -2.66 -0.41 0.11 -1.71 -3.41 132.00 128.25 1xhn h PRO 140 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1xhn h PRO 140 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1xhn h PRO 140 CO 0.57 0.00 0.30 -1.91 -0.21 0.00 0.00 178.00 176.75 1xhn n GLU 141 N -3.93 0.14 0.00 1.05 2.13 -1.26 -4.25 120.64 114.53 1xhn n GLU 141 Ca 0.02 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1xhn n GLU 141 Cb 0.35 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.54 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 2.67 0.00 0.00 5.31 5.02 -1.26 -2.92 118.16 126.98 1xhn n LYS 143 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1xhn n LYS 143 Cb 0.07 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 35.48 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 0.00 0.00 -1.85 -0.18 -2.24 -1.26 -4.95 114.28 103.80 1xhn n THR 144 Ca 0.00 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 1xhn n THR 144 Cb 0.00 0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.49 2.44 -0.03 4.78 0.51 -1.15 -4.89 118.94 118.11 1xhn s TRP 145 Ca 0.25 1.35 -0.30 0.00 -2.12 0.00 0.00 56.10 55.28 1xhn s TRP 145 Cb 0.19 -3.80 -0.07 0.00 -0.81 0.00 0.00 33.47 28.99 1xhn s TRP 145 CO 0.51 -2.73 1.81 -1.25 -0.51 0.00 0.00 176.95 174.79 1xhn s PRO 146 N -2.67 4.09 0.58 4.98 0.04 -1.26 -4.90 135.00 135.86 1xhn s PRO 146 Ca 0.66 2.34 0.27 0.00 0.04 0.00 0.00 61.00 64.31 1xhn s PRO 146 Cb -0.40 -4.08 1.64 0.00 0.04 0.00 0.00 34.50 31.69 1xhn s PRO 146 CO 0.50 -0.98 2.15 0.66 0.04 0.00 0.00 177.00 179.37 1xhn h SER 147 N 10.32 0.00 0.39 6.66 4.64 -1.96 -1.20 113.55 132.40 1xhn h SER 147 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xhn h SER 147 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1xhn h SER 147 CO 0.95 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.68 1xhn h SER 148 N 0.00 0.00 0.02 4.97 4.64 -2.03 -1.98 113.55 119.17 1xhn h SER 148 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xhn h SER 148 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 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 -2.60 0.00 -3.48 4.77 8.25 -0.45 -4.95 115.22 116.76 1xhn n HIS 149 Ca -0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.27 1xhn n HIS 149 Cb 0.15 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.32 1xhn n HIS 149 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xhn n ASN 150 N -0.79 -2.27 -4.72 0.41 3.02 -0.74 -4.14 115.26 106.02 1xhn n ASN 150 Ca 0.23 -0.68 -0.39 0.00 -0.03 0.00 0.00 54.58 53.71 1xhn n ASN 150 Cb 0.16 -4.86 0.04 0.00 -0.61 0.00 0.00 39.78 34.51 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 -4.09 2.10 -4.05 3.10 7.02 -1.26 -4.38 117.44 115.88 1xhn n TRP 151 Ca -0.27 0.45 -0.08 0.00 -1.02 0.00 0.00 57.50 56.57 1xhn n TRP 151 Cb 0.67 -2.34 -0.10 0.00 -2.42 0.00 0.00 31.31 27.11 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 -1.29 0.44 0.03 -5.99 -0.12 0.63 -4.94 117.98 106.74 1xhn s PHE 152 Ca 0.70 -0.83 -0.23 0.00 -0.05 0.00 0.00 56.93 56.52 1xhn s PHE 152 Cb -0.44 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 41.58 1xhn s PHE 152 CO 0.51 -0.28 0.70 -0.06 -0.05 0.00 0.00 175.22 176.04 1xhn s PHE 153 N -2.83 3.72 0.25 3.49 0.40 -1.26 -1.19 117.98 120.56 1xhn s PHE 153 Ca -0.03 1.38 0.02 0.00 -0.60 0.00 0.00 56.93 57.70 1xhn s PHE 153 Cb 0.00 -2.74 -0.05 0.00 0.51 0.00 0.00 43.02 40.74 1xhn s PHE 153 CO -0.06 0.31 0.07 0.00 0.70 0.00 0.00 175.22 176.24 1xhn s ALA 154 N -0.13 1.72 0.06 5.36 0.00 -0.23 -0.39 121.76 128.16 1xhn s ALA 154 Ca 0.36 -1.83 -0.06 0.00 0.00 0.00 0.00 51.96 50.42 1xhn s ALA 154 Cb -0.20 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1xhn s ALA 154 CO 0.21 -0.41 0.11 -1.59 0.00 0.00 0.00 175.76 174.09 1xhn s LYS 155 N -3.99 0.71 -0.21 0.00 -2.85 -0.38 -0.95 119.74 112.07 1xhn s LYS 155 Ca 0.35 -0.94 -0.20 0.00 -1.00 0.00 0.00 55.97 54.18 1xhn s LYS 155 Cb 0.07 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1xhn s LYS 155 CO 0.12 -0.19 0.57 -1.17 0.10 0.00 0.00 175.35 174.78 1xhn s LEU 156 N -2.62 4.13 -0.44 2.77 2.96 -0.13 -2.14 118.68 123.22 1xhn s LEU 156 Ca 0.02 0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 54.46 1xhn s LEU 156 Cb 0.04 -2.79 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1xhn s LEU 156 CO -0.09 -0.24 0.64 0.20 -1.32 0.00 0.00 176.35 175.55 1xhn s ASN 157 N 1.22 6.32 0.02 3.68 0.01 0.69 -4.50 114.94 122.39 1xhn s ASN 157 Ca 0.26 -0.34 -0.24 0.00 -0.71 0.00 0.00 52.86 51.83 1xhn s ASN 157 Cb -0.16 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1xhn s ASN 157 CO 0.10 -0.78 0.72 -0.63 -1.51 0.00 0.00 177.10 175.00 1xhn s ILE 158 N 2.81 4.82 -0.04 0.60 1.01 -1.26 -1.31 121.20 127.83 1xhn s ILE 158 Ca 0.23 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.43 1xhn s ILE 158 Cb -0.14 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1xhn s ILE 158 CO 0.19 0.36 0.01 0.35 0.00 0.00 0.00 174.94 175.84 1xhn n THR 159 N 2.93 0.30 -3.96 2.92 -2.24 0.21 -4.84 114.28 109.59 1xhn n THR 159 Ca -0.03 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1xhn n THR 159 Cb 0.51 -0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 67.73 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 -3.66 0.25 -0.03 3.42 -0.87 -0.86 -4.60 114.94 108.59 1xhn s ASN 160 Ca -0.03 -0.03 0.04 0.00 -1.57 0.00 0.00 52.86 51.27 1xhn s ASN 160 Cb 0.01 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.25 41.18 1xhn s ASN 160 CO 0.17 -0.00 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.92 1xhn s ILE 161 N 0.18 1.17 -0.08 0.60 1.01 -1.23 -0.28 121.20 122.57 1xhn s ILE 161 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1xhn s ILE 161 Cb -0.04 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.44 1xhn s ILE 161 CO -0.01 0.34 -0.16 0.26 0.00 0.00 0.00 174.94 175.38 1xhn s TRP 162 N 0.03 1.86 -0.18 3.97 0.51 -1.26 -2.67 118.94 121.19 1xhn s TRP 162 Ca -0.02 -0.76 -0.04 0.00 -2.12 0.00 0.00 56.10 53.17 1xhn s TRP 162 Cb -0.10 -1.31 -0.02 0.00 -0.81 0.00 0.00 33.47 31.23 1xhn s TRP 162 CO 0.01 -0.36 -0.04 0.08 -0.51 0.00 0.00 176.95 176.13 1xhn s VAL 163 N 0.66 3.62 -0.62 4.03 1.01 0.61 -4.42 120.40 125.29 1xhn s VAL 163 Ca -0.14 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1xhn s VAL 163 Cb -0.16 -2.61 0.16 0.00 0.00 0.00 0.00 36.38 33.77 1xhn s VAL 163 CO 0.04 0.46 0.49 -0.76 0.00 0.00 0.00 175.10 175.33 1xhn s LEU 164 N 0.87 5.84 0.00 3.92 2.01 -0.54 -0.48 118.68 130.30 1xhn s LEU 164 Ca -0.01 -2.42 0.00 0.00 0.01 0.00 0.00 54.13 51.71 1xhn s LEU 164 Cb -0.15 -2.02 0.00 0.00 0.01 0.00 0.00 46.19 44.04 1xhn s LEU 164 CO 0.01 -0.56 0.63 -0.90 1.01 0.00 0.00 176.35 176.54 1xhn n ASP 165 N 4.21 0.99 -3.68 2.29 5.75 -1.24 -2.91 116.55 121.95 1xhn n ASP 165 Ca 0.03 -1.40 -0.07 0.00 -0.01 0.00 0.00 54.79 53.34 1xhn n ASP 165 Cb 0.41 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.40 -0.27 0.79 2.11 5.04 -1.23 -4.52 117.35 118.87 1xhn s TYR 166 Ca 0.00 -0.04 -0.14 0.00 -2.44 0.00 0.00 57.07 54.45 1xhn s TYR 166 Cb 0.00 0.63 0.07 0.00 0.35 0.00 0.00 41.96 43.01 1xhn s TYR 166 CO 0.00 -0.93 1.18 1.19 -1.34 0.00 0.00 175.55 175.65 1xhn n PHE 167 N -0.41 1.24 0.00 4.97 3.72 -1.26 -4.36 117.46 121.35 1xhn n PHE 167 Ca -0.08 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1xhn n PHE 167 Cb 0.61 -2.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.04 1xhn n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xhn n GLY 168 N 0.65 1.18 0.39 1.37 0.00 -1.26 -5.03 105.19 102.48 1xhn n GLY 168 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.52 -2.72 3.59 -0.02 0.00 -1.26 -4.94 105.19 98.31 1xhn n GLY 169 Ca 0.00 -1.35 -0.45 0.00 0.00 0.00 0.00 46.02 44.22 1xhn n GLY 169 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xhn n PRO 170 N -2.68 1.36 -3.36 1.61 -0.04 -1.26 -4.96 135.00 125.67 1xhn n PRO 170 Ca -0.02 0.48 -0.38 0.00 -0.04 0.00 0.00 63.50 63.53 1xhn n PRO 170 Cb 0.18 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.69 1xhn n PRO 170 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xhn s LYS 171 N -1.30 4.25 -0.14 0.54 1.02 0.37 -4.90 119.74 119.58 1xhn s LYS 171 Ca 0.61 0.31 -0.18 0.00 0.02 0.00 0.00 55.97 56.74 1xhn s LYS 171 Cb -0.72 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.06 1xhn s LYS 171 CO 0.58 0.05 0.47 0.42 -0.92 0.00 0.00 175.35 175.95 1xhn s ILE 172 N 1.00 5.18 -0.07 2.17 1.01 -1.26 -0.28 121.20 128.95 1xhn s ILE 172 Ca 0.22 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.84 1xhn s ILE 172 Cb -0.15 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1xhn s ILE 172 CO 0.08 0.30 -0.21 -0.69 0.00 0.00 0.00 174.94 174.43 1xhn s VAL 173 N 0.81 2.43 0.40 2.92 1.01 -1.09 -5.00 120.40 121.88 1xhn s VAL 173 Ca 0.25 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1xhn s VAL 173 Cb -0.15 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 1xhn s VAL 173 CO 0.10 0.56 0.88 0.42 0.00 0.00 0.00 175.10 177.06 1xhn s THR 174 N -0.12 4.51 0.28 3.92 -4.23 -1.26 -3.58 115.64 115.15 1xhn s THR 174 Ca -0.04 1.27 0.01 0.00 -1.18 0.00 0.00 61.69 61.75 1xhn s THR 174 Cb -0.14 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.35 1xhn s THR 174 CO 0.04 -0.31 1.71 -0.65 -0.54 0.00 0.00 174.62 174.86 1xhn h PRO 175 N 1.92 0.40 -0.58 3.99 0.11 -1.88 -0.50 132.00 135.46 1xhn h PRO 175 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1xhn h PRO 175 Cb 1.18 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1xhn h PRO 175 CO 0.63 0.27 0.29 1.49 -0.21 0.00 0.00 178.00 180.46 1xhn h GLU 176 N 0.41 0.83 -0.46 1.05 4.81 -1.96 0.31 114.58 119.57 1xhn h GLU 176 Ca 0.51 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1xhn h GLU 176 Cb 0.92 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1xhn h GLU 176 CO -0.50 0.66 0.28 0.93 -0.73 0.00 0.00 179.01 179.66 1xhn h GLU 177 N 0.78 0.55 -0.29 1.92 5.08 -1.68 -0.27 114.58 120.68 1xhn h GLU 177 Ca 0.20 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1xhn h GLU 177 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xhn h GLU 177 CO -0.03 0.37 0.10 -0.92 -1.00 0.00 0.00 179.01 177.52 1xhn h TYR 178 N 0.57 0.45 0.00 4.33 3.20 -0.72 -2.04 116.97 122.77 1xhn h TYR 178 Ca 0.18 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1xhn h TYR 178 Cb -0.01 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1xhn h TYR 178 CO -0.06 0.47 0.00 0.66 -1.64 0.00 0.00 178.16 177.59 1xhn n TYR 179 N -4.72 0.11 1.23 -3.82 4.01 0.06 -3.32 117.16 110.72 1xhn n TYR 179 Ca -0.02 0.04 0.13 0.00 -0.16 0.00 0.00 57.90 57.88 1xhn n TYR 179 Cb 0.16 -0.56 0.30 0.00 -0.31 0.00 0.00 39.34 38.93 1xhn n TYR 179 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xhn n ASN 180 N -1.59 1.69 -4.70 7.72 5.03 -0.11 -4.83 115.26 118.47 1xhn n ASN 180 Ca 0.06 -1.38 -0.42 0.00 0.87 0.00 0.00 54.58 53.71 1xhn n ASN 180 Cb 0.31 0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 39.18 1xhn n ASN 180 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xhn s VAL 181 N -2.26 2.78 0.00 2.41 1.01 -1.09 -5.06 120.40 118.18 1xhn s VAL 181 Ca 0.28 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1xhn s VAL 181 Cb 0.20 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1xhn s VAL 181 CO 0.44 0.00 0.08 0.41 0.00 0.00 0.00 175.10 176.03