#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn8 n LEU 2 N 0.00 0.00 -2.50 -0.89 4.77 -1.26 -4.96 117.00 112.17 1xn8 n LEU 2 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1xn8 n LEU 2 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1xn8 n LEU 2 CO 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 177.39 176.13 1xn8 n LEU 3 N 0.00 3.34 -4.24 2.23 -0.00 -1.26 -5.05 117.00 112.02 1xn8 n LEU 3 Ca 0.00 -4.37 -0.24 0.00 -0.00 0.00 0.00 56.01 51.40 1xn8 n LEU 3 Cb 0.00 -0.04 -0.14 0.00 -0.00 0.00 0.00 43.42 43.24 1xn8 n LEU 3 CO 0.00 1.84 -0.51 0.27 -0.00 0.00 0.00 177.39 178.99 1xn8 s ILE 4 N -4.41 1.59 0.27 1.47 -4.36 -1.26 -5.15 121.20 109.36 1xn8 s ILE 4 Ca 0.39 -1.23 0.06 0.00 -0.26 0.00 0.00 60.65 59.61 1xn8 s ILE 4 Cb 0.41 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 1xn8 s ILE 4 CO -0.06 0.13 0.30 0.42 0.24 0.00 0.00 174.94 175.97 1xn8 s THR 5 N -0.88 4.55 -0.00 8.37 -4.23 -1.26 -5.01 115.64 117.17 1xn8 s THR 5 Ca 0.06 -1.21 0.21 0.00 -1.18 0.00 0.00 61.69 59.57 1xn8 s THR 5 Cb -0.09 -3.53 0.18 0.00 1.34 0.00 0.00 72.50 70.40 1xn8 s THR 5 CO 0.02 -0.30 1.68 1.55 -0.54 0.00 0.00 174.62 177.03 1xn8 h PRO 6 N 1.28 0.00 -0.53 3.99 0.13 -1.95 -2.74 132.00 132.18 1xn8 h PRO 6 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1xn8 h PRO 6 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1xn8 h PRO 6 CO 0.59 0.31 0.03 0.38 -0.23 0.00 0.00 178.00 179.09 1xn8 h ASP 7 N 0.00 0.83 0.16 1.44 3.04 -1.98 -1.77 116.42 118.14 1xn8 h ASP 7 Ca -0.00 -0.20 -0.24 0.00 -3.24 0.00 0.00 57.03 53.35 1xn8 h ASP 7 Cb 0.99 -0.22 0.01 0.00 -1.04 0.00 0.00 39.33 39.07 1xn8 h ASP 7 CO 0.04 0.88 -0.95 -0.33 -2.04 0.00 0.00 179.24 176.84 1xn8 h GLU 8 N 0.82 0.56 -0.30 4.15 4.39 -1.95 -1.79 114.58 120.46 1xn8 h GLU 8 Ca 0.16 -0.57 0.05 0.00 0.34 0.00 0.00 59.36 59.33 1xn8 h GLU 8 Cb 0.44 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1xn8 h GLU 8 CO 0.02 1.20 0.04 1.25 -1.16 0.00 0.00 179.01 180.35 1xn8 h LEU 9 N 0.33 -0.04 -0.63 1.33 5.85 -1.18 -1.35 115.31 119.62 1xn8 h LEU 9 Ca -0.09 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1xn8 h LEU 9 Cb 1.59 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1xn8 h LEU 9 CO 0.18 0.01 -0.16 0.07 -0.34 0.00 0.00 178.44 178.20 1xn8 h LYS 10 N 0.13 0.91 -0.93 1.25 2.10 -1.36 0.17 116.57 118.85 1xn8 h LYS 10 Ca 0.14 -0.35 0.26 0.00 -2.00 0.00 0.00 60.65 58.70 1xn8 h LYS 10 Cb 0.17 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.40 1xn8 h LYS 10 CO -0.21 1.00 0.66 1.03 -2.00 0.00 0.00 179.45 179.94 1xn8 h SER 11 N 0.80 0.06 0.08 7.07 0.87 -0.35 -0.83 113.55 121.25 1xn8 h SER 11 Ca 0.12 0.01 -0.37 0.00 -1.23 0.00 0.00 61.79 60.31 1xn8 h SER 11 Cb 0.71 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 1xn8 h SER 11 CO 0.05 0.02 -2.24 0.00 -0.53 0.00 0.00 176.83 174.13 1xn8 n TYR 12 N -4.30 0.53 -2.85 2.24 9.36 -0.75 -4.87 117.16 116.52 1xn8 n TYR 12 Ca 0.19 0.12 -0.42 0.00 3.32 0.00 0.00 57.90 61.12 1xn8 n TYR 12 Cb 0.96 -1.07 -0.04 0.00 -0.63 0.00 0.00 39.34 38.56 1xn8 n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1xn8 s SER 13 N -6.57 6.94 -0.47 2.98 0.15 0.55 -4.93 113.70 112.35 1xn8 s SER 13 Ca -0.26 1.16 -0.02 0.00 0.70 0.00 0.00 55.95 57.53 1xn8 s SER 13 Cb 0.08 -2.46 0.23 0.00 -1.71 0.00 0.00 66.02 62.15 1xn8 s SER 13 CO 0.70 -0.49 2.24 1.33 1.20 0.00 0.00 173.24 178.22 1xn8 n VAL 14 N 5.04 3.17 -4.11 4.45 0.24 -1.26 -4.62 118.33 121.24 1xn8 n VAL 14 Ca 0.06 -2.50 -0.33 0.00 -2.04 0.00 0.00 64.34 59.53 1xn8 n VAL 14 Cb 0.48 -1.37 -0.16 0.00 -1.47 0.00 0.00 33.84 31.32 1xn8 n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xn8 s PHE 15 N -2.36 2.85 0.64 6.34 0.08 -1.26 -4.97 117.98 119.29 1xn8 s PHE 15 Ca 0.47 -1.76 0.33 0.00 0.12 0.00 0.00 56.93 56.09 1xn8 s PHE 15 Cb 0.35 -1.91 1.83 0.00 -0.57 0.00 0.00 43.02 42.72 1xn8 s PHE 15 CO -0.10 -0.82 2.10 1.05 -0.10 0.00 0.00 175.22 177.34 1xn8 h GLU 16 N 7.91 0.00 -0.44 0.44 4.11 -1.99 0.07 114.58 124.69 1xn8 h GLU 16 Ca -0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.01 1xn8 h GLU 16 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1xn8 h GLU 16 CO 0.60 0.00 0.23 0.66 0.07 0.00 0.00 179.01 180.57 1xn8 h SER 17 N 0.00 0.55 0.14 3.06 4.64 -1.93 0.40 113.55 120.41 1xn8 h SER 17 Ca 0.04 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 1xn8 h SER 17 Cb 0.47 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1xn8 h SER 17 CO -0.00 0.50 -0.55 0.58 -0.87 0.00 0.00 176.83 176.48 1xn8 h VAL 18 N 0.57 1.34 0.36 0.95 2.07 -1.24 -2.63 116.25 117.67 1xn8 h VAL 18 Ca 0.15 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1xn8 h VAL 18 Cb 0.08 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1xn8 h VAL 18 CO -0.02 0.56 -0.18 0.11 0.02 0.00 0.00 177.57 178.06 1xn8 h LYS 19 N 0.33 -0.47 -0.07 1.57 1.57 -0.97 -3.22 116.57 115.32 1xn8 h LYS 19 Ca 0.00 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1xn8 h LYS 19 Cb 1.07 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 1xn8 h LYS 19 CO 0.10 -0.21 -0.50 1.79 -0.57 0.00 0.00 179.45 180.05 1xn8 h THR 20 N -0.67 0.00 -1.20 -0.16 1.35 -0.22 -3.42 112.91 108.60 1xn8 h THR 20 Ca -0.05 0.00 -0.70 0.00 -0.55 0.00 0.00 66.41 65.11 1xn8 h THR 20 Cb 0.48 0.00 0.09 0.00 -1.73 0.00 0.00 68.15 66.98 1xn8 h THR 20 CO 0.08 0.00 -0.21 -1.14 -0.25 0.00 0.00 175.52 174.01 1xn8 n ARG 21 N -5.22 0.22 -1.53 4.72 0.63 -1.00 -4.92 116.66 109.56 1xn8 n ARG 21 Ca -0.06 0.08 -0.29 0.00 -0.92 0.00 0.00 57.85 56.66 1xn8 n ARG 21 Cb 0.36 -1.32 0.15 0.00 0.45 0.00 0.00 32.46 32.10 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xn8 s PRO 22 N -0.63 0.79 0.07 -0.14 0.04 -1.26 -4.83 135.00 129.04 1xn8 s PRO 22 Ca 0.73 0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.79 1xn8 s PRO 22 Cb -1.02 -1.81 -0.23 0.00 0.04 0.00 0.00 34.50 31.49 1xn8 s PRO 22 CO 0.56 -2.41 1.19 0.38 0.04 0.00 0.00 177.00 176.76 1xn8 h ASP 23 N -1.65 0.89 -0.47 6.66 2.03 -1.94 0.12 116.42 122.06 1xn8 h ASP 23 Ca -0.49 -0.73 0.07 0.00 -0.73 0.00 0.00 57.03 55.15 1xn8 h ASP 23 Cb 1.32 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 39.52 1xn8 h ASP 23 CO 0.56 1.51 0.32 1.05 -1.03 0.00 0.00 179.24 181.64 1xn8 h GLU 24 N 0.37 0.35 0.00 4.15 4.11 -2.00 0.22 114.58 121.79 1xn8 h GLU 24 Ca -0.12 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.19 1xn8 h GLU 24 Cb 1.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1xn8 h GLU 24 CO 0.20 0.23 -0.57 -0.07 0.07 0.00 0.00 179.01 178.87 1xn8 h LEU 25 N 0.36 0.00 -0.88 3.06 3.38 -1.93 -3.29 115.31 116.02 1xn8 h LEU 25 Ca 0.21 -0.57 0.23 0.00 0.09 0.00 0.00 57.88 57.84 1xn8 h LEU 25 Cb 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 1xn8 h LEU 25 CO -0.05 1.11 0.31 -0.07 0.09 0.00 0.00 178.44 179.83 1xn8 h LEU 26 N -1.00 0.15 -0.12 1.67 3.38 -0.47 0.31 115.31 119.23 1xn8 h LEU 26 Ca -0.14 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1xn8 h LEU 26 Cb 0.95 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1xn8 h LEU 26 CO -0.09 -0.09 -0.25 0.11 0.09 0.00 0.00 178.44 178.22 1xn8 h LYS 27 N 0.29 -0.31 -0.54 1.13 1.57 -0.70 1.46 116.57 119.48 1xn8 h LYS 27 Ca 0.55 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.45 1xn8 h LYS 27 Cb 1.09 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1xn8 h LYS 27 CO -0.59 -0.20 0.36 1.96 -0.57 0.00 0.00 179.45 180.41 1xn8 h GLN 28 N -0.32 0.32 0.07 3.15 4.20 -0.54 0.23 115.11 122.23 1xn8 h GLN 28 Ca 0.10 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xn8 h GLN 28 Cb 0.46 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1xn8 h GLN 28 CO -0.30 0.21 -0.03 -0.44 -0.67 0.00 0.00 178.83 177.60 1xn8 h ASP 29 N 0.33 -0.08 -0.50 1.46 3.32 0.87 -2.57 116.42 119.25 1xn8 h ASP 29 Ca 0.25 -0.55 0.10 0.00 0.02 0.00 0.00 57.03 56.85 1xn8 h ASP 29 Cb 0.54 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 1xn8 h ASP 29 CO -0.06 0.60 -0.03 0.40 -1.72 0.00 0.00 179.24 178.43 1xn8 h ILE 30 N -0.84 0.58 -0.74 0.35 2.04 0.26 0.50 117.51 119.65 1xn8 h ILE 30 Ca -0.01 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1xn8 h ILE 30 Cb 0.62 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1xn8 h ILE 30 CO 0.02 0.02 0.49 -0.07 0.00 0.00 0.00 178.15 178.60 1xn8 h LEU 31 N 0.08 0.62 -0.81 1.44 3.38 -0.63 0.19 115.31 119.58 1xn8 h LEU 31 Ca 0.25 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1xn8 h LEU 31 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1xn8 h LEU 31 CO -0.44 0.38 -0.57 -0.08 0.09 0.00 0.00 178.44 177.82 1xn8 h GLU 32 N 0.70 0.08 -0.09 1.13 4.81 0.21 -2.70 114.58 118.73 1xn8 h GLU 32 Ca 0.33 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1xn8 h GLU 32 Cb 0.39 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1xn8 h GLU 32 CO -0.12 0.63 -0.01 0.00 -0.73 0.00 0.00 179.01 178.78 1xn8 h ALA 33 N 1.36 0.12 -0.79 2.92 0.00 0.25 -2.88 119.26 120.24 1xn8 h ALA 33 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1xn8 h ALA 33 Cb 1.02 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1xn8 h ALA 33 CO 0.08 -0.17 0.52 0.00 0.00 0.00 0.00 179.25 179.68 1xn8 h THR 34 N -0.14 0.99 -0.94 0.00 1.03 -1.10 0.68 112.91 113.44 1xn8 h THR 34 Ca 0.02 -0.27 0.24 0.00 -0.01 0.00 0.00 66.41 66.39 1xn8 h THR 34 Cb 0.39 0.13 -0.06 0.00 -1.07 0.00 0.00 68.15 67.54 1xn8 h THR 34 CO 0.01 0.15 0.64 0.00 -0.01 0.00 0.00 175.52 176.30 1xn8 h ALA 35 N 1.59 2.43 0.14 0.00 0.00 -1.25 1.16 119.26 123.33 1xn8 h ALA 35 Ca 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1xn8 h ALA 35 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xn8 h ALA 35 CO -0.13 -0.73 -0.07 0.22 0.00 0.00 0.00 179.25 178.54 1xn8 h ASP 36 N 0.27 -0.16 -0.78 0.00 3.58 -0.88 -0.97 116.42 117.49 1xn8 h ASP 36 Ca 0.49 -0.39 0.08 0.00 0.42 0.00 0.00 57.03 57.63 1xn8 h ASP 36 Cb 1.43 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.47 1xn8 h ASP 36 CO -0.14 0.41 0.51 0.40 -2.88 0.00 0.00 179.24 177.53 1xn8 h ILE 37 N -0.84 0.99 -0.24 2.25 2.04 -0.81 0.35 117.51 121.25 1xn8 h ILE 37 Ca -0.02 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 1xn8 h ILE 37 Cb 0.54 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1xn8 h ILE 37 CO 0.03 0.14 -0.32 0.40 0.00 0.00 0.00 178.15 178.40 1xn8 h ILE 38 N 0.77 1.28 0.00 -0.67 2.04 0.13 -0.56 117.51 120.50 1xn8 h ILE 38 Ca 0.34 -1.42 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 1xn8 h ILE 38 Cb 0.34 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1xn8 h ILE 38 CO -0.12 0.45 -0.56 -0.07 0.00 0.00 0.00 178.15 177.84 1xn8 h LEU 39 N 0.43 0.00 -0.12 1.44 3.38 0.69 0.29 115.31 121.43 1xn8 h LEU 39 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1xn8 h LEU 39 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1xn8 h LEU 39 CO 0.06 0.56 -0.37 0.11 0.09 0.00 0.00 178.44 178.89 1xn8 h LYS 40 N 0.00 0.46 -0.05 1.13 1.57 0.09 -2.91 116.57 116.87 1xn8 h LYS 40 Ca -0.01 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1xn8 h LYS 40 Cb 1.09 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1xn8 h LYS 40 CO 0.07 0.96 0.00 1.33 -0.57 0.00 0.00 179.45 181.24 1xn8 n VAL 41 N -4.34 0.05 -3.71 0.50 0.24 -0.27 -4.52 118.33 106.29 1xn8 n VAL 41 Ca -0.07 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.34 61.77 1xn8 n VAL 41 Cb 0.52 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.02 1xn8 n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xn8 n GLY 42 N 1.08 -0.45 3.58 7.63 0.00 0.86 -2.64 105.19 115.25 1xn8 n GLY 42 Ca 0.19 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1xn8 n GLY 42 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xn8 s HIS 43 N -2.89 -0.56 0.32 1.61 -3.43 -0.37 -4.95 115.29 105.01 1xn8 s HIS 43 Ca 0.51 1.15 0.09 0.00 -0.80 0.00 0.00 55.06 56.02 1xn8 s HIS 43 Cb -0.29 0.38 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 1xn8 s HIS 43 CO 0.63 -0.41 0.03 0.34 -2.00 0.00 0.00 174.74 173.33 1xn8 s ASP 44 N -0.57 4.35 -0.65 7.38 -1.08 -1.26 -4.56 116.67 120.28 1xn8 s ASP 44 Ca -0.03 -0.86 -0.12 0.00 -0.52 0.00 0.00 52.55 51.02 1xn8 s ASP 44 Cb -0.02 -0.64 0.17 0.00 -1.46 0.00 0.00 42.92 40.97 1xn8 s ASP 44 CO 0.03 -0.18 0.56 -0.36 0.52 0.00 0.00 175.17 175.73 1xn8 s PHE 45 N -2.45 3.51 -0.08 -5.34 0.08 -1.26 -4.87 117.98 107.56 1xn8 s PHE 45 Ca 0.34 -1.91 -0.08 0.00 0.12 0.00 0.00 56.93 55.41 1xn8 s PHE 45 Cb -0.02 -3.65 -0.03 0.00 -0.57 0.00 0.00 43.02 38.75 1xn8 s PHE 45 CO 0.20 -0.98 -0.15 0.45 -0.10 0.00 0.00 175.22 174.65 1xn8 n SER 46 N 4.41 0.94 -4.48 1.36 2.88 -1.26 -3.22 113.62 114.25 1xn8 n SER 46 Ca 0.01 0.24 -0.59 0.00 -1.33 0.00 0.00 58.87 57.21 1xn8 n SER 46 Cb 0.43 -0.64 -0.10 0.00 -0.75 0.00 0.00 64.21 63.15 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xn8 n ASP 47 N -3.45 1.48 0.25 -3.46 8.00 -1.26 -4.72 116.55 113.40 1xn8 n ASP 47 Ca -0.06 0.79 0.17 0.00 0.71 0.00 0.00 54.79 56.40 1xn8 n ASP 47 Cb 0.22 -1.03 0.91 0.00 -0.02 0.00 0.00 41.12 41.20 1xn8 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xn8 h ALA 48 N 8.74 1.00 -0.21 2.24 0.00 -2.00 0.44 119.26 129.48 1xn8 h ALA 48 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xn8 h ALA 48 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xn8 h ALA 48 CO 1.03 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.43 1xn8 n GLU 49 N -2.67 1.50 -2.79 0.00 0.28 -1.26 -4.12 120.64 111.57 1xn8 n GLU 49 Ca -0.02 -0.77 -0.10 0.00 -0.16 0.00 0.00 57.16 56.11 1xn8 n GLU 49 Cb 0.05 -1.18 0.06 0.00 1.43 0.00 0.00 31.44 31.80 1xn8 n GLU 49 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1xn8 n TYR 50 N 0.12 -2.78 -3.20 -1.84 9.36 0.16 -5.02 117.16 113.95 1xn8 n TYR 50 Ca 0.08 -2.14 -0.23 0.00 3.32 0.00 0.00 57.90 58.93 1xn8 n TYR 50 Cb 0.18 1.38 -0.06 0.00 -0.63 0.00 0.00 39.34 40.21 1xn8 n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1xn8 n ILE 51 N 1.00 0.55 -2.52 2.97 5.41 -1.24 -4.61 119.36 120.92 1xn8 n ILE 51 Ca 0.09 -4.61 -0.39 0.00 1.00 0.00 0.00 62.75 58.84 1xn8 n ILE 51 Cb 0.66 -1.47 -0.04 0.00 -0.71 0.00 0.00 39.64 38.07 1xn8 n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xn8 s PRO 52 N -2.07 4.52 -0.47 0.38 0.04 -1.26 -5.02 135.00 131.12 1xn8 s PRO 52 Ca 0.39 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.16 1xn8 s PRO 52 Cb 0.23 -3.01 0.16 0.00 0.04 0.00 0.00 34.50 31.93 1xn8 s PRO 52 CO -0.09 0.13 0.36 -1.17 0.04 0.00 0.00 177.00 176.27 1xn8 s LEU 53 N -1.78 2.18 0.00 -3.56 2.96 -1.26 -5.08 118.68 112.14 1xn8 s LEU 53 Ca 0.48 -3.13 0.00 0.00 -0.22 0.00 0.00 54.13 51.26 1xn8 s LEU 53 Cb -0.29 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.68 1xn8 s LEU 53 CO 0.36 -0.17 0.00 -0.81 -1.32 0.00 0.00 176.35 174.41 1xn8 n PRO 54 N 2.80 0.43 0.01 0.98 -0.04 -1.26 -4.88 135.00 133.04 1xn8 n PRO 54 Ca 0.25 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1xn8 n PRO 54 Cb 0.43 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.76 1xn8 n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xn8 h GLU 55 N 0.00 0.09 -0.23 0.54 4.81 -1.99 -3.07 114.58 114.73 1xn8 h GLU 55 Ca 0.00 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1xn8 h GLU 55 Cb 0.00 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1xn8 h GLU 55 CO 0.00 0.78 0.14 0.00 -0.73 0.00 0.00 179.01 179.20 1xn8 h THR 56 N 0.03 1.10 0.08 0.32 1.03 -1.94 0.56 112.91 114.08 1xn8 h THR 56 Ca -0.28 -0.24 -0.00 0.00 -0.01 0.00 0.00 66.41 65.87 1xn8 h THR 56 Cb 2.00 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 69.91 1xn8 h THR 56 CO 0.10 0.09 -0.04 0.58 -0.01 0.00 0.00 175.52 176.25 1xn8 h VAL 57 N 0.28 1.11 -1.00 0.00 2.07 -1.82 -1.52 116.25 115.37 1xn8 h VAL 57 Ca 0.08 -0.69 0.22 0.00 0.82 0.00 0.00 66.70 67.13 1xn8 h VAL 57 Cb 0.03 1.56 -0.11 0.00 -1.52 0.00 0.00 31.29 31.25 1xn8 h VAL 57 CO -0.02 0.17 0.62 0.03 0.02 0.00 0.00 177.57 178.39 1xn8 h ARG 58 N -0.42 0.61 -0.16 1.57 3.08 -1.42 0.40 114.38 118.04 1xn8 h ARG 58 Ca -0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1xn8 h ARG 58 Cb 0.36 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xn8 h ARG 58 CO 0.02 0.41 -0.01 1.25 -1.07 0.00 0.00 179.97 180.56 1xn8 h LEU 59 N 0.63 0.29 -0.77 3.04 5.85 -0.65 0.97 115.31 124.68 1xn8 h LEU 59 Ca 0.59 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1xn8 h LEU 59 Cb 1.10 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1xn8 h LEU 59 CO -0.37 0.55 0.48 0.00 -0.34 0.00 0.00 178.44 178.76 1xn8 h ALA 60 N 0.75 1.02 -0.18 1.25 0.00 0.31 0.97 119.26 123.39 1xn8 h ALA 60 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1xn8 h ALA 60 Cb 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xn8 h ALA 60 CO 0.01 0.24 -0.30 1.25 0.00 0.00 0.00 179.25 180.45 1xn8 h LEU 61 N 0.90 0.58 -1.27 0.00 7.12 -0.15 0.18 115.31 122.67 1xn8 h LEU 61 Ca 0.32 -0.53 -0.00 0.00 0.13 0.00 0.00 57.88 57.79 1xn8 h LEU 61 Cb 0.08 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.01 1xn8 h LEU 61 CO -0.14 1.00 0.41 -0.07 -0.13 0.00 0.00 178.44 179.51 1xn8 h LEU 62 N 0.18 0.79 -0.02 2.25 3.38 0.17 1.38 115.31 123.44 1xn8 h LEU 62 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xn8 h LEU 62 Cb 0.89 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xn8 h LEU 62 CO 0.07 0.61 -0.04 0.11 0.09 0.00 0.00 178.44 179.27 1xn8 h LYS 63 N 0.92 0.06 -0.16 1.13 1.57 0.11 -0.10 116.57 120.10 1xn8 h LYS 63 Ca 0.24 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1xn8 h LYS 63 Cb -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xn8 h LYS 63 CO -0.05 0.64 0.09 -0.07 -0.57 0.00 0.00 179.45 179.49 1xn8 h LEU 64 N -0.52 0.20 0.13 2.94 3.38 -0.21 0.65 115.31 121.87 1xn8 h LEU 64 Ca -0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xn8 h LEU 64 Cb 0.64 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1xn8 h LEU 64 CO 0.01 0.23 -0.18 0.28 0.09 0.00 0.00 178.44 178.86 1xn8 h SER 65 N 0.16 -0.51 -0.75 -0.43 0.02 0.18 0.37 113.55 112.59 1xn8 h SER 65 Ca 0.06 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1xn8 h SER 65 Cb 0.07 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1xn8 h SER 65 CO -0.01 -0.27 0.44 -0.61 -1.14 0.00 0.00 176.83 175.25 1xn8 h GLN 66 N -0.37 1.04 -0.52 3.45 4.15 -0.83 0.38 115.11 122.41 1xn8 h GLN 66 Ca 0.02 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1xn8 h GLN 66 Cb 0.37 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1xn8 h GLN 66 CO -0.09 0.74 0.16 0.35 -1.93 0.00 0.00 178.83 178.07 1xn8 h PHE 67 N 1.05 0.84 0.28 3.99 3.04 0.10 0.29 116.94 126.54 1xn8 h PHE 67 Ca 0.27 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1xn8 h PHE 67 Cb -0.02 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.25 1xn8 h PHE 67 CO 0.01 0.72 -0.14 1.88 -2.02 0.00 0.00 178.31 178.76 1xn8 h TYR 68 N 0.72 -0.35 -0.57 0.41 0.05 0.26 -2.76 116.97 114.73 1xn8 h TYR 68 Ca 0.17 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.07 1xn8 h TYR 68 Cb 0.28 0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1xn8 h TYR 68 CO 0.02 -0.05 0.39 0.00 -1.05 0.00 0.00 178.16 177.47 1xn8 h ALA 69 N -0.72 2.25 0.30 3.88 0.00 -0.30 0.56 119.26 125.23 1xn8 h ALA 69 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xn8 h ALA 69 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xn8 h ALA 69 CO 0.06 -0.40 -0.15 1.25 0.00 0.00 0.00 179.25 180.01 1xn8 h LEU 70 N 0.21 -0.37 -0.24 0.00 5.85 -0.40 0.97 115.31 121.33 1xn8 h LEU 70 Ca 0.27 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1xn8 h LEU 70 Cb 0.78 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1xn8 h LEU 70 CO -0.05 -0.25 0.07 0.16 -0.34 0.00 0.00 178.44 178.03 1xn8 h ILE 71 N -0.42 0.92 -0.45 4.05 3.07 -1.14 0.91 117.51 124.46 1xn8 h ILE 71 Ca -0.04 -0.06 0.09 0.00 1.55 0.00 0.00 64.86 66.40 1xn8 h ILE 71 Cb 0.32 0.73 -0.08 0.00 -0.27 0.00 0.00 36.82 37.52 1xn8 h ILE 71 CO 0.06 0.03 -0.09 0.78 -1.05 0.00 0.00 178.15 177.88 1xn8 h ASN 72 N 0.17 -0.37 -0.22 2.16 2.35 0.14 -0.30 115.58 119.52 1xn8 h ASN 72 Ca 0.11 0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1xn8 h ASN 72 Cb 0.09 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1xn8 h ASN 72 CO -0.12 -0.13 -0.27 1.23 -1.65 0.00 0.00 177.43 176.49 1xn8 h GLY 73 N 0.02 0.76 -2.08 2.83 0.00 0.17 -3.45 103.07 101.32 1xn8 h GLY 73 Ca 0.22 -0.67 -0.50 0.00 0.00 0.00 0.00 47.33 46.38 1xn8 h GLY 73 CO -0.44 0.61 -1.88 1.34 0.00 0.00 0.00 176.54 176.16 1xn8 n ASP 74 N -4.10 -3.42 0.00 0.19 -0.08 0.31 -4.89 116.55 104.57 1xn8 n ASP 74 Ca -0.00 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1xn8 n ASP 74 Cb 0.45 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1xn8 n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xn8 n GLU 75 N 0.86 0.00 -2.92 -0.67 1.02 -1.26 -4.63 120.64 113.04 1xn8 n GLU 75 Ca -0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1xn8 n GLU 75 Cb 0.65 -0.38 0.03 0.00 -0.02 0.00 0.00 31.44 31.73 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xn8 n SER 76 N 0.00 -0.39 -4.60 1.62 7.64 -1.26 -5.06 113.62 111.57 1xn8 n SER 76 Ca 0.00 -3.15 -0.49 0.00 1.01 0.00 0.00 58.87 56.24 1xn8 n SER 76 Cb 0.00 0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xn8 n ILE 77 N 0.18 0.59 -1.76 0.44 5.41 -1.26 -4.73 119.36 118.22 1xn8 n ILE 77 Ca 0.14 -0.15 -0.19 0.00 1.00 0.00 0.00 62.75 63.56 1xn8 n ILE 77 Cb 0.71 -0.95 -0.07 0.00 -0.71 0.00 0.00 39.64 38.62 1xn8 n ILE 77 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1xn8 s ILE 78 N 0.09 3.19 0.16 1.39 1.09 -1.26 -4.86 121.20 120.99 1xn8 s ILE 78 Ca 0.76 -0.18 0.01 0.00 -1.10 0.00 0.00 60.65 60.14 1xn8 s ILE 78 Cb -0.85 -3.54 0.01 0.00 -1.06 0.00 0.00 42.46 37.03 1xn8 s ILE 78 CO 0.49 -0.38 0.11 2.29 -0.10 0.00 0.00 174.94 177.35 1xn8 n LYS 79 N 8.73 1.29 -0.36 2.79 2.85 -1.26 0.17 118.16 132.38 1xn8 n LYS 79 Ca 0.44 -1.02 0.04 0.00 -1.05 0.00 0.00 58.31 56.72 1xn8 n LYS 79 Cb 0.45 0.13 0.19 0.00 -0.65 0.00 0.00 35.03 35.15 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xn8 n GLY 80 N 3.06 1.71 5.00 2.58 0.00 -1.26 -4.88 105.19 111.40 1xn8 n GLY 80 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1xn8 n GLY 80 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xn8 n TYR 81 N 0.41 0.00 -1.58 1.61 4.01 -1.26 -0.58 117.16 119.76 1xn8 n TYR 81 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1xn8 n TYR 81 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1xn8 n TYR 81 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1xn8 n THR 82 N 0.00 0.00 -0.72 -0.72 -2.24 -1.26 -5.12 114.28 104.22 1xn8 n THR 82 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1xn8 n THR 82 Cb 0.00 0.56 0.15 0.00 -2.10 0.00 0.00 70.33 68.95 1xn8 n THR 82 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xn8 n THR 83 N 0.00 0.00 -3.88 4.28 -1.04 0.25 -4.98 114.28 108.91 1xn8 n THR 83 Ca 0.00 -0.26 -0.35 0.00 -2.04 0.00 0.00 64.05 61.40 1xn8 n THR 83 Cb 0.56 -0.59 -0.05 0.00 -1.82 0.00 0.00 70.33 68.42 1xn8 n THR 83 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1xn8 s GLU 84 N -3.47 3.45 0.39 -2.82 2.02 -1.26 -4.91 118.70 112.10 1xn8 s GLU 84 Ca 0.56 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.32 1xn8 s GLU 84 Cb -0.15 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1xn8 s GLU 84 CO 0.67 0.72 0.00 1.17 0.02 0.00 0.00 175.26 177.83 1xn8 n LYS 85 N 1.38 -5.05 0.00 1.61 4.81 -1.26 -5.07 118.16 114.59 1xn8 n LYS 85 Ca -0.15 3.65 0.00 0.00 -0.87 0.00 0.00 58.31 60.95 1xn8 n LYS 85 Cb 0.54 -4.03 0.00 0.00 0.02 0.00 0.00 35.03 31.55 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1xn8 n ILE 86 N 0.34 0.00 -3.76 3.15 2.08 -1.26 -4.89 119.36 115.01 1xn8 n ILE 86 Ca 0.00 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.08 1xn8 n ILE 86 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 38.91 1xn8 n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1xn8 n GLY 87 N 5.00 -0.37 0.00 7.39 0.00 -1.26 -4.91 105.19 111.04 1xn8 n GLY 87 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1xn8 n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 88 N -3.00 1.12 -2.25 1.61 -0.08 -1.26 -4.73 116.55 107.96 1xn8 n ASP 88 Ca -0.28 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.70 1xn8 n ASP 88 Cb 0.67 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.23 1xn8 n ASP 88 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xn8 n TYR 89 N 0.00 3.01 -1.57 -0.67 4.02 -1.26 -4.84 117.16 115.85 1xn8 n TYR 89 Ca 0.00 -2.64 0.00 0.00 -0.01 0.00 0.00 57.90 55.25 1xn8 n TYR 89 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 39.34 38.04 1xn8 n TYR 89 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1xn8 n SER 90 N -0.85 0.00 -2.92 7.72 2.88 -1.26 -4.89 113.62 114.30 1xn8 n SER 90 Ca 0.59 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.97 1xn8 n SER 90 Cb 0.89 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.34 1xn8 n SER 90 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1xn8 n TYR 91 N 0.00 -1.67 -1.66 0.66 4.02 0.45 -4.60 117.16 114.36 1xn8 n TYR 91 Ca 0.00 0.22 -0.53 0.00 -0.01 0.00 0.00 57.90 57.58 1xn8 n TYR 91 Cb 0.00 -2.44 -0.06 0.00 -0.02 0.00 0.00 39.34 36.82 1xn8 n TYR 91 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1xn8 n THR 92 N -3.46 0.20 -1.54 -0.72 -1.04 -1.24 -4.49 114.28 101.98 1xn8 n THR 92 Ca -0.05 -0.04 -0.30 0.00 -2.04 0.00 0.00 64.05 61.63 1xn8 n THR 92 Cb 0.55 -1.20 0.10 0.00 -1.82 0.00 0.00 70.33 67.97 1xn8 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn8 s LEU 93 N 2.19 2.50 0.19 -4.42 1.43 -0.62 -3.98 118.68 115.97 1xn8 s LEU 93 Ca 0.90 1.26 0.15 0.00 -1.03 0.00 0.00 54.13 55.42 1xn8 s LEU 93 Cb -0.93 -3.83 0.76 0.00 0.03 0.00 0.00 46.19 42.22 1xn8 s LEU 93 CO 0.54 -2.08 1.46 0.61 0.23 0.00 0.00 176.35 177.11 1xn8 n GLY 94 N -2.08 -0.83 1.17 -3.19 0.00 -1.26 0.22 105.19 99.22 1xn8 n GLY 94 Ca 0.07 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1xn8 n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn8 n ASP 95 N -1.97 3.91 -3.10 1.61 8.00 -1.26 -4.94 116.55 118.79 1xn8 n ASP 95 Ca -0.00 -2.25 -0.17 0.00 0.71 0.00 0.00 54.79 53.08 1xn8 n ASP 95 Cb 0.06 -0.45 0.07 0.00 -0.02 0.00 0.00 41.12 40.79 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xn8 n GLY 96 N 0.92 -0.28 3.65 0.44 0.00 0.13 -5.01 105.19 105.04 1xn8 n GLY 96 Ca 0.21 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1xn8 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn8 s SER 97 N -3.74 4.96 -1.29 1.61 0.01 -1.25 -4.84 113.70 109.16 1xn8 s SER 97 Ca 0.24 -0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.40 1xn8 s SER 97 Cb -0.10 -1.28 0.16 0.00 0.21 0.00 0.00 66.02 65.01 1xn8 s SER 97 CO 0.62 0.31 2.04 -1.54 0.41 0.00 0.00 173.24 175.08 1xn8 n SER 98 N 1.68 6.15 -4.50 2.44 3.41 -1.26 -1.58 113.62 119.96 1xn8 n SER 98 Ca -0.16 -3.13 -0.43 0.00 -0.26 0.00 0.00 58.87 54.89 1xn8 n SER 98 Cb 0.53 -1.43 -0.08 0.00 -0.26 0.00 0.00 64.21 62.97 1xn8 n SER 98 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xn8 n LEU 99 N 3.02 1.75 -4.99 1.04 7.94 -1.26 -4.90 117.00 119.60 1xn8 n LEU 99 Ca 0.47 0.03 -0.23 0.00 -1.11 0.00 0.00 56.01 55.17 1xn8 n LEU 99 Cb 0.32 -1.29 0.04 0.00 0.53 0.00 0.00 43.42 43.02 1xn8 n LEU 99 CO 0.77 -1.02 0.24 0.00 -1.11 0.00 0.00 177.39 176.27 1xn8 s GLN 100 N 7.65 2.25 0.39 1.96 0.00 -1.26 -4.63 119.66 126.02 1xn8 s GLN 100 Ca 1.12 -1.84 -0.26 0.00 -0.00 0.00 0.00 55.36 54.38 1xn8 s GLN 100 Cb -0.71 -2.41 -0.11 0.00 0.00 0.00 0.00 33.01 29.78 1xn8 s GLN 100 CO 0.41 -0.81 1.13 1.63 0.00 0.00 0.00 175.29 177.64 1xn8 n LYS 101 N -2.08 1.64 -2.53 9.60 4.76 -1.26 -4.88 118.16 123.40 1xn8 n LYS 101 Ca 0.09 0.58 -0.36 0.00 -2.87 0.00 0.00 58.31 55.75 1xn8 n LYS 101 Cb 0.63 -2.16 -0.04 0.00 -1.84 0.00 0.00 35.03 31.62 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1xn8 s PRO 102 N -1.99 4.15 -0.85 1.97 0.04 -1.26 -4.90 135.00 132.17 1xn8 s PRO 102 Ca 0.61 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 1xn8 s PRO 102 Cb -0.56 -2.54 -0.12 0.00 0.04 0.00 0.00 34.50 31.32 1xn8 s PRO 102 CO 0.58 -0.15 1.99 -0.25 0.04 0.00 0.00 177.00 179.21 1xn8 n ASP 103 N -0.08 3.20 -0.00 6.66 9.92 -1.26 -4.08 116.55 130.90 1xn8 n ASP 103 Ca 0.05 -2.60 0.06 0.00 -0.53 0.00 0.00 54.79 51.77 1xn8 n ASP 103 Cb 0.50 -1.14 -0.08 0.00 -0.64 0.00 0.00 41.12 39.75 1xn8 n ASP 103 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1xn8 n VAL 104 N 5.49 0.00 -0.31 2.53 0.24 -1.26 -4.50 118.33 120.53 1xn8 n VAL 104 Ca 0.48 -0.25 0.21 0.00 -2.04 0.00 0.00 64.34 62.74 1xn8 n VAL 104 Cb 0.33 0.61 0.48 0.00 -1.47 0.00 0.00 33.84 33.79 1xn8 n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1xn8 h TYR 105 N 0.00 0.70 0.00 6.34 5.03 -1.97 1.53 116.97 128.60 1xn8 h TYR 105 Ca 0.00 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 1xn8 h TYR 105 Cb 0.43 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1xn8 h TYR 105 CO 0.00 0.10 -0.25 0.00 -1.32 0.00 0.00 178.16 176.69 1xn8 h ALA 106 N 1.62 1.04 0.13 1.82 0.00 -1.94 0.16 119.26 122.10 1xn8 h ALA 106 Ca 0.57 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 1xn8 h ALA 106 Cb 1.35 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1xn8 h ALA 106 CO -0.29 0.31 -0.77 -0.07 0.00 0.00 0.00 179.25 178.44 1xn8 h LEU 107 N 0.00 0.42 -0.14 0.00 3.38 0.17 -3.20 115.31 115.95 1xn8 h LEU 107 Ca -0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1xn8 h LEU 107 Cb 0.75 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1xn8 h LEU 107 CO 0.03 1.37 0.00 2.30 0.09 0.00 0.00 178.44 182.23 1xn8 n ILE 108 N -4.16 0.01 -0.08 1.22 -5.35 0.83 -3.45 119.36 108.39 1xn8 n ILE 108 Ca -0.14 -0.04 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 1xn8 n ILE 108 Cb 0.80 -0.31 -0.05 0.00 -1.74 0.00 0.00 39.64 38.33 1xn8 n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1xn8 h LYS 109 N 0.31 0.49 0.00 6.28 3.64 -0.66 0.27 116.57 126.90 1xn8 h LYS 109 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1xn8 h LYS 109 Cb 0.07 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1xn8 h LYS 109 CO 0.00 0.79 0.19 0.22 -2.27 0.00 0.00 179.45 178.38 1xn8 h ASP 110 N 0.18 0.00 0.00 4.20 3.58 -1.71 0.16 116.42 122.84 1xn8 h ASP 110 Ca 0.04 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 1xn8 h ASP 110 Cb 0.66 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.53 1xn8 h ASP 110 CO 0.04 0.00 -0.75 -1.22 -2.88 0.00 0.00 179.24 174.43 1xn8 n TYR 111 N -2.74 0.00 -1.64 0.28 4.01 -0.86 -5.08 117.16 111.13 1xn8 n TYR 111 Ca -0.02 -0.99 -0.31 0.00 -0.16 0.00 0.00 57.90 56.42 1xn8 n TYR 111 Cb 0.24 -0.20 0.06 0.00 -0.31 0.00 0.00 39.34 39.13 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xn8 s VAL 112 N -1.64 3.80 -0.99 -0.72 1.01 0.89 -4.80 120.40 117.97 1xn8 s VAL 112 Ca 0.35 0.59 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 1xn8 s VAL 112 Cb 0.37 -3.39 -0.22 0.00 0.00 0.00 0.00 36.38 33.14 1xn8 s VAL 112 CO -0.11 -0.77 2.68 1.17 0.00 0.00 0.00 175.10 178.07 1xn8 n LYS 113 N -3.15 0.00 -1.17 2.72 4.81 -1.08 -4.85 118.16 115.44 1xn8 n LYS 113 Ca 0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.28 1xn8 n LYS 113 Cb 0.55 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 34.28 1xn8 n LYS 113 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xn8 n PRO 114 N 8.46 -1.84 -3.46 1.64 -0.04 -1.26 -5.01 135.00 133.48 1xn8 n PRO 114 Ca 0.66 -1.50 -0.28 0.00 -0.04 0.00 0.00 63.50 62.33 1xn8 n PRO 114 Cb 0.03 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 1xn8 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xn8 n ALA 115 N -4.07 4.06 -2.75 0.55 0.00 -1.26 -5.04 120.51 112.00 1xn8 n ALA 115 Ca -0.17 -4.75 -0.16 0.00 0.00 0.00 0.00 53.44 48.36 1xn8 n ALA 115 Cb 0.46 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 1xn8 n ALA 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xn8 s ASP 116 N -2.28 0.98 0.19 0.00 2.15 -1.26 -5.16 116.67 111.28 1xn8 s ASP 116 Ca 0.37 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1xn8 s ASP 116 Cb 0.12 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1xn8 s ASP 116 CO -0.03 -0.01 0.00 -0.81 -0.17 0.00 0.00 175.17 174.15 1xn8 n PRO 117 N 2.27 0.72 -0.94 4.34 -0.04 -1.26 -4.89 135.00 135.21 1xn8 n PRO 117 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1xn8 n PRO 117 Cb 0.56 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.07 1xn8 n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xn8 n ASP 118 N -0.56 6.28 -0.14 3.54 2.03 -1.26 -4.07 116.55 122.37 1xn8 n ASP 118 Ca 0.00 -3.16 0.12 0.00 0.52 0.00 0.00 54.79 52.28 1xn8 n ASP 118 Cb 0.00 -1.00 0.27 0.00 -0.72 0.00 0.00 41.12 39.67 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xn8 n LEU 119 N 0.06 0.85 -4.79 -2.67 -0.00 -1.26 -4.91 117.00 104.28 1xn8 n LEU 119 Ca 0.36 -0.19 -0.35 0.00 -0.00 0.00 0.00 56.01 55.83 1xn8 n LEU 119 Cb 0.66 -0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 43.90 1xn8 n LEU 119 CO 0.44 0.18 0.74 -0.70 -0.00 0.00 0.00 177.39 178.05 1xn8 s GLU 120 N -2.74 3.66 0.00 1.47 2.12 -1.26 -4.83 118.70 117.12 1xn8 s GLU 120 Ca 0.17 1.47 0.00 0.00 0.36 0.00 0.00 54.97 56.97 1xn8 s GLU 120 Cb 0.18 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.48 1xn8 s GLU 120 CO 0.62 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1xn8 n GLY 121 N -0.06 1.71 1.42 -1.50 0.00 -1.26 -4.89 105.19 100.61 1xn8 n GLY 121 Ca 0.10 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.39 1xn8 n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xn8 n ILE 122 N 0.00 -1.61 -0.97 -0.61 5.41 -1.26 -4.68 119.36 115.64 1xn8 n ILE 122 Ca 0.00 1.04 0.00 0.00 1.00 0.00 0.00 62.75 64.79 1xn8 n ILE 122 Cb 0.00 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 1xn8 n ILE 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xn8 n GLU 123 N -3.46 -1.25 -0.08 0.38 1.02 -1.26 -4.77 120.64 111.21 1xn8 n GLU 123 Ca -0.05 0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 57.27 1xn8 n GLU 123 Cb 0.52 -4.32 -0.14 0.00 -0.02 0.00 0.00 31.44 27.48 1xn8 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xn8 n ALA 124 N 1.00 1.40 0.31 0.62 0.00 -1.26 -3.42 120.51 119.15 1xn8 n ALA 124 Ca 0.00 -1.08 0.13 0.00 0.00 0.00 0.00 53.44 52.49 1xn8 n ALA 124 Cb 0.31 -0.32 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1xn8 n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xn8 h LYS 125 N 0.01 0.00 0.00 0.00 1.63 -1.98 -2.62 116.57 113.60 1xn8 h LYS 125 Ca -0.50 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1xn8 h LYS 125 Cb 2.07 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.70 1xn8 h LYS 125 CO 0.01 0.00 -0.01 0.28 -3.45 0.00 0.00 179.45 176.28 1xn8 h VAL 126 N 0.00 0.09 0.00 2.00 2.07 -1.95 -1.71 116.25 116.75 1xn8 h VAL 126 Ca 0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1xn8 h VAL 126 Cb 0.86 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1xn8 h VAL 126 CO 0.00 0.03 0.08 0.08 0.02 0.00 0.00 177.57 177.78 1xn8 h ARG 127 N -1.00 0.00 0.00 1.57 0.11 -1.64 0.24 114.38 113.66 1xn8 h ARG 127 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xn8 h ARG 127 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1xn8 h ARG 127 CO -0.00 0.00 -0.15 1.98 0.10 0.00 0.00 179.97 181.90 1xn8 h MET 128 N 0.00 0.00 -0.11 0.08 4.05 -1.53 -2.79 114.93 114.62 1xn8 h MET 128 Ca 0.00 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1xn8 h MET 128 Cb 0.16 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1xn8 h MET 128 CO 0.00 0.00 0.12 0.07 0.23 0.00 0.00 176.91 177.33 1xn8 h ARG 129 N -0.71 0.00 -0.81 0.39 0.11 -1.02 -0.05 114.38 112.29 1xn8 h ARG 129 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 1xn8 h ARG 129 Cb 0.15 0.00 -0.36 0.00 1.11 0.00 0.00 29.97 30.87 1xn8 h ARG 129 CO 0.00 0.00 -0.19 0.43 0.10 0.00 0.00 179.97 180.31 1xn8 n SER 130 N -3.89 5.69 -0.16 0.08 7.64 0.83 -5.08 113.62 118.74 1xn8 n SER 130 Ca -0.00 -3.77 0.15 0.00 1.01 0.00 0.00 58.87 56.26 1xn8 n SER 130 Cb 0.23 -0.58 0.81 0.00 -1.01 0.00 0.00 64.21 63.66 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03