#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 -0.82 -3.18 -0.89 7.99 -1.26 -4.91 117.00 113.94 1xn8 n LEU 2 Ca 0.00 1.14 -0.23 0.00 -0.01 0.00 0.00 56.01 56.91 1xn8 n LEU 2 Cb 0.00 -0.97 -0.05 0.00 -0.11 0.00 0.00 43.42 42.29 1xn8 n LEU 2 CO 0.00 -2.69 -0.12 0.00 -1.51 0.00 0.00 177.39 173.07 1xn8 n LEU 3 N 1.88 1.91 -4.21 2.23 -0.00 -1.26 -5.03 117.00 112.53 1xn8 n LEU 3 Ca 0.18 -5.13 -0.33 0.00 -0.00 0.00 0.00 56.01 50.73 1xn8 n LEU 3 Cb 0.23 0.19 -0.16 0.00 -0.00 0.00 0.00 43.42 43.67 1xn8 n LEU 3 CO 0.57 2.20 -0.52 0.27 -0.00 0.00 0.00 177.39 179.91 1xn8 s ILE 4 N -2.49 2.31 0.55 1.47 -5.25 -1.26 -5.10 121.20 111.42 1xn8 s ILE 4 Ca 0.40 -0.89 -0.21 0.00 -0.99 0.00 0.00 60.65 58.96 1xn8 s ILE 4 Cb 0.25 -1.95 -0.06 0.00 2.95 0.00 0.00 42.46 43.65 1xn8 s ILE 4 CO -0.09 0.53 1.13 0.41 -1.79 0.00 0.00 174.94 175.13 1xn8 n THR 5 N 4.10 3.54 0.10 8.37 -1.04 -1.26 -4.91 114.28 123.19 1xn8 n THR 5 Ca -0.20 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.27 1xn8 n THR 5 Cb 0.51 -1.35 0.06 0.00 -1.82 0.00 0.00 70.33 67.73 1xn8 n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1xn8 h PRO 6 N 1.04 0.05 -0.39 -2.82 0.13 -1.92 -3.11 132.00 124.98 1xn8 h PRO 6 Ca -0.49 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.48 1xn8 h PRO 6 Cb 1.34 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1xn8 h PRO 6 CO 0.54 0.78 -0.21 -0.44 -0.23 0.00 0.00 178.00 178.44 1xn8 h ASP 7 N 0.03 0.78 -0.17 1.44 3.32 -1.97 -2.39 116.42 117.46 1xn8 h ASP 7 Ca -0.01 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.79 1xn8 h ASP 7 Cb 1.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1xn8 h ASP 7 CO 0.10 0.97 0.12 -0.08 -1.72 0.00 0.00 179.24 178.63 1xn8 h GLU 8 N 0.67 0.12 -0.18 3.56 4.22 -1.92 0.35 114.58 121.41 1xn8 h GLU 8 Ca 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.49 1xn8 h GLU 8 Cb 0.72 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1xn8 h GLU 8 CO 0.06 0.08 -0.03 1.25 -2.18 0.00 0.00 179.01 178.18 1xn8 h LEU 9 N 0.13 0.35 -1.06 1.64 5.85 -1.45 -2.43 115.31 118.34 1xn8 h LEU 9 Ca 0.07 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1xn8 h LEU 9 Cb 0.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xn8 h LEU 9 CO -0.01 0.62 -0.46 0.07 -0.34 0.00 0.00 178.44 178.32 1xn8 h LYS 10 N 0.07 0.00 -0.79 1.25 2.10 -1.15 0.46 116.57 118.50 1xn8 h LYS 10 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1xn8 h LYS 10 Cb 0.46 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.75 1xn8 h LYS 10 CO 0.02 0.46 0.51 1.03 -2.00 0.00 0.00 179.45 179.47 1xn8 h SER 11 N 0.00 0.92 0.46 7.07 0.87 -0.06 -2.55 113.55 120.25 1xn8 h SER 11 Ca -0.00 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 1xn8 h SER 11 Cb 0.84 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1xn8 h SER 11 CO 0.06 0.68 -1.64 0.00 -0.53 0.00 0.00 176.83 175.39 1xn8 n TYR 12 N -4.40 0.55 -3.43 2.24 9.36 -0.94 -4.83 117.16 115.71 1xn8 n TYR 12 Ca 0.09 0.18 -0.39 0.00 3.32 0.00 0.00 57.90 61.09 1xn8 n TYR 12 Cb 0.04 -0.88 -0.09 0.00 -0.63 0.00 0.00 39.34 37.77 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 -5.29 6.20 -0.42 2.98 0.15 0.16 -4.95 113.70 112.53 1xn8 s SER 13 Ca -0.05 0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.81 1xn8 s SER 13 Cb 0.10 -2.19 0.41 0.00 -1.71 0.00 0.00 66.02 62.62 1xn8 s SER 13 CO 0.84 -0.17 1.87 1.33 1.20 0.00 0.00 173.24 178.31 1xn8 n VAL 14 N 5.12 2.95 -3.99 4.45 0.24 -1.26 -4.55 118.33 121.28 1xn8 n VAL 14 Ca -0.09 -1.90 -0.35 0.00 -2.04 0.00 0.00 64.34 59.96 1xn8 n VAL 14 Cb 0.51 -0.96 -0.09 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.65 3.29 0.28 6.34 0.08 -1.26 -4.99 117.98 119.08 1xn8 s PHE 15 Ca 0.45 0.15 -0.00 0.00 0.12 0.00 0.00 56.93 57.65 1xn8 s PHE 15 Cb 0.37 -2.05 0.42 0.00 -0.57 0.00 0.00 43.02 41.18 1xn8 s PHE 15 CO 0.03 0.25 1.82 1.49 -0.10 0.00 0.00 175.22 178.71 1xn8 h GLU 16 N 6.41 0.76 -0.63 0.44 4.81 -1.96 0.17 114.58 124.58 1xn8 h GLU 16 Ca -0.40 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 1xn8 h GLU 16 Cb 1.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1xn8 h GLU 16 CO 0.69 0.73 0.33 0.77 -0.73 0.00 0.00 179.01 180.80 1xn8 h SER 17 N 0.73 0.79 0.37 1.04 0.02 -1.88 0.81 113.55 115.43 1xn8 h SER 17 Ca 0.15 -0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1xn8 h SER 17 Cb 0.34 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1xn8 h SER 17 CO 0.01 0.67 -0.67 0.58 -1.14 0.00 0.00 176.83 176.27 1xn8 h VAL 18 N 0.85 1.40 0.10 2.27 2.07 -1.59 -1.67 116.25 119.69 1xn8 h VAL 18 Ca 0.22 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 1xn8 h VAL 18 Cb 0.06 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1xn8 h VAL 18 CO -0.03 0.63 -0.05 0.11 0.02 0.00 0.00 177.57 178.24 1xn8 h LYS 19 N 0.19 -0.13 -0.30 1.57 1.57 -0.02 -3.21 116.57 116.23 1xn8 h LYS 19 Ca -0.02 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1xn8 h LYS 19 Cb 1.21 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1xn8 h LYS 19 CO 0.11 0.26 0.05 1.79 -0.57 0.00 0.00 179.45 181.08 1xn8 h THR 20 N -0.56 0.84 -0.98 -0.16 1.35 0.62 -3.43 112.91 110.58 1xn8 h THR 20 Ca -0.01 -0.05 -0.78 0.00 -0.55 0.00 0.00 66.41 65.01 1xn8 h THR 20 Cb 0.46 0.67 0.04 0.00 -1.73 0.00 0.00 68.15 67.59 1xn8 h THR 20 CO 0.02 0.03 0.13 -1.14 -0.25 0.00 0.00 175.52 174.31 1xn8 n ARG 21 N -5.11 0.00 -2.46 4.72 0.63 -0.63 -4.87 116.66 108.94 1xn8 n ARG 21 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1xn8 n ARG 21 Cb 0.14 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.55 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 0.33 3.73 0.31 -0.14 0.04 -1.26 -4.78 135.00 133.23 1xn8 s PRO 22 Ca 0.91 1.32 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1xn8 s PRO 22 Cb -1.27 -2.09 0.63 0.00 0.04 0.00 0.00 34.50 31.82 1xn8 s PRO 22 CO 0.59 -0.49 1.87 -0.44 0.04 0.00 0.00 177.00 178.57 1xn8 h ASP 23 N 1.36 0.83 -0.81 6.66 5.19 -1.94 0.79 116.42 128.50 1xn8 h ASP 23 Ca -0.49 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.04 1xn8 h ASP 23 Cb 1.22 -0.14 -0.07 0.00 0.18 0.00 0.00 39.33 40.52 1xn8 h ASP 23 CO 0.59 0.47 0.46 1.05 -3.12 0.00 0.00 179.24 178.68 1xn8 h GLU 24 N 0.91 0.75 0.00 3.56 4.11 -2.00 0.05 114.58 121.95 1xn8 h GLU 24 Ca 0.44 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.83 1xn8 h GLU 24 Cb 0.46 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xn8 h GLU 24 CO -0.20 0.50 -0.00 -0.07 0.07 0.00 0.00 179.01 179.30 1xn8 h LEU 25 N 0.77 -0.00 -1.56 3.06 3.38 -1.35 -3.21 115.31 116.41 1xn8 h LEU 25 Ca 0.39 -0.93 0.43 0.00 0.09 0.00 0.00 57.88 57.86 1xn8 h LEU 25 Cb 0.35 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.99 1xn8 h LEU 25 CO -0.24 0.95 0.92 -0.07 0.09 0.00 0.00 178.44 180.09 1xn8 h LEU 26 N -0.98 0.20 0.33 1.67 3.38 0.79 0.88 115.31 121.58 1xn8 h LEU 26 Ca -0.00 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xn8 h LEU 26 Cb 0.93 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1xn8 h LEU 26 CO 0.00 -0.11 -0.16 0.11 0.09 0.00 0.00 178.44 178.38 1xn8 h LYS 27 N 0.10 -0.42 -0.86 1.13 1.57 -1.03 0.84 116.57 117.89 1xn8 h LYS 27 Ca 0.79 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.66 1xn8 h LYS 27 Cb 2.62 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 34.97 1xn8 h LYS 27 CO -0.30 -0.11 0.56 1.96 -0.57 0.00 0.00 179.45 180.99 1xn8 h GLN 28 N -0.76 0.94 0.01 3.15 4.20 0.52 0.22 115.11 123.39 1xn8 h GLN 28 Ca -0.04 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xn8 h GLN 28 Cb 0.51 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1xn8 h GLN 28 CO 0.07 0.62 -0.00 0.22 -0.67 0.00 0.00 178.83 179.07 1xn8 h ASP 29 N 0.96 -0.01 -0.49 1.46 1.82 -0.13 -0.87 116.42 119.16 1xn8 h ASP 29 Ca 0.37 -0.54 0.09 0.00 -0.39 0.00 0.00 57.03 56.56 1xn8 h ASP 29 Cb 0.21 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.14 1xn8 h ASP 29 CO -0.13 0.53 0.03 0.40 -1.61 0.00 0.00 179.24 178.46 1xn8 h ILE 30 N -0.55 0.65 -0.90 2.25 2.04 0.13 0.24 117.51 121.37 1xn8 h ILE 30 Ca -0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1xn8 h ILE 30 Cb 0.54 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1xn8 h ILE 30 CO 0.00 0.03 0.52 -0.07 0.00 0.00 0.00 178.15 178.62 1xn8 h LEU 31 N 0.15 1.10 -1.96 1.44 3.38 -0.58 -0.35 115.31 118.48 1xn8 h LEU 31 Ca 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1xn8 h LEU 31 Cb 0.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xn8 h LEU 31 CO -0.38 0.87 -0.11 -0.08 0.09 0.00 0.00 178.44 178.83 1xn8 h GLU 32 N 1.25 0.00 -0.01 1.13 4.57 0.66 -0.42 114.58 121.76 1xn8 h GLU 32 Ca 0.32 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.39 1xn8 h GLU 32 Cb -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1xn8 h GLU 32 CO -0.06 0.11 -0.42 0.00 -1.18 0.00 0.00 179.01 177.46 1xn8 h ALA 33 N 1.89 0.06 -0.41 2.92 0.00 0.97 -3.22 119.26 121.47 1xn8 h ALA 33 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1xn8 h ALA 33 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xn8 h ALA 33 CO 0.01 0.22 0.16 0.00 0.00 0.00 0.00 179.25 179.64 1xn8 h THR 34 N -0.29 1.16 -0.84 0.00 1.03 -0.66 -1.24 112.91 112.08 1xn8 h THR 34 Ca -0.05 -0.49 0.21 0.00 -0.01 0.00 0.00 66.41 66.06 1xn8 h THR 34 Cb 1.15 0.68 -0.05 0.00 -1.07 0.00 0.00 68.15 68.86 1xn8 h THR 34 CO 0.08 0.19 0.57 0.00 -0.01 0.00 0.00 175.52 176.36 1xn8 h ALA 35 N 1.61 2.39 0.02 0.00 0.00 -1.10 1.43 119.26 123.61 1xn8 h ALA 35 Ca 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xn8 h ALA 35 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xn8 h ALA 35 CO -0.01 -0.64 -0.01 0.22 0.00 0.00 0.00 179.25 178.80 1xn8 h ASP 36 N 0.26 -0.03 -0.61 0.00 3.58 -1.31 -2.37 116.42 115.95 1xn8 h ASP 36 Ca 0.42 -0.72 0.05 0.00 0.42 0.00 0.00 57.03 57.20 1xn8 h ASP 36 Cb 1.25 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 1xn8 h ASP 36 CO -0.11 0.76 0.34 0.40 -2.88 0.00 0.00 179.24 177.75 1xn8 h ILE 37 N -0.87 0.98 -0.67 2.25 2.04 -0.81 0.91 117.51 121.34 1xn8 h ILE 37 Ca -0.00 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1xn8 h ILE 37 Cb 0.74 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1xn8 h ILE 37 CO 0.01 0.12 0.44 0.40 0.00 0.00 0.00 178.15 179.11 1xn8 h ILE 38 N 0.64 1.15 -0.01 -0.67 2.04 0.18 0.14 117.51 120.98 1xn8 h ILE 38 Ca 0.27 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 65.61 1xn8 h ILE 38 Cb 0.14 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1xn8 h ILE 38 CO -0.16 0.16 -0.88 -0.07 0.00 0.00 0.00 178.15 177.20 1xn8 h LEU 39 N 0.88 0.46 -0.69 1.44 3.38 -0.46 1.43 115.31 121.76 1xn8 h LEU 39 Ca 0.25 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1xn8 h LEU 39 Cb -0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1xn8 h LEU 39 CO -0.06 1.15 0.29 0.11 0.09 0.00 0.00 178.44 180.01 1xn8 h LYS 40 N 0.21 1.03 0.00 1.13 1.57 0.21 -2.27 116.57 118.45 1xn8 h LYS 40 Ca -0.06 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1xn8 h LYS 40 Cb 1.51 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1xn8 h LYS 40 CO 0.15 0.85 -0.74 1.33 -0.57 0.00 0.00 179.45 180.46 1xn8 n VAL 41 N -4.39 0.03 -3.29 0.50 0.24 0.35 -4.78 118.33 106.98 1xn8 n VAL 41 Ca 0.05 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 1xn8 n VAL 41 Cb 0.17 0.48 0.05 0.00 -1.47 0.00 0.00 33.84 33.07 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 1.48 -0.53 3.30 7.63 0.00 0.45 -4.07 105.19 113.44 1xn8 n GLY 42 Ca 0.04 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1xn8 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xn8 s HIS 43 N -3.24 -0.41 -0.21 1.61 3.76 0.13 -4.97 115.29 111.95 1xn8 s HIS 43 Ca 0.44 0.93 -0.00 0.00 -0.15 0.00 0.00 55.06 56.28 1xn8 s HIS 43 Cb -0.19 0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.67 1xn8 s HIS 43 CO 0.54 -0.27 -0.13 0.16 -0.85 0.00 0.00 174.74 174.18 1xn8 s ASP 44 N -0.17 3.74 -0.85 1.40 -4.77 -1.26 -4.37 116.67 110.38 1xn8 s ASP 44 Ca -0.03 -0.75 -0.26 0.00 -3.30 0.00 0.00 52.55 48.21 1xn8 s ASP 44 Cb -0.03 -1.57 -0.13 0.00 -1.09 0.00 0.00 42.92 40.09 1xn8 s ASP 44 CO 0.02 -0.05 2.30 -0.36 0.70 0.00 0.00 175.17 177.77 1xn8 s PHE 45 N 1.30 1.26 -0.10 2.11 0.08 -1.26 -4.57 117.98 116.80 1xn8 s PHE 45 Ca 0.02 1.80 -0.11 0.00 0.12 0.00 0.00 56.93 58.76 1xn8 s PHE 45 Cb -0.15 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.73 1xn8 s PHE 45 CO -0.09 -1.48 -0.23 0.43 -0.10 0.00 0.00 175.22 173.75 1xn8 n SER 46 N 18.05 1.60 -4.58 1.36 7.64 -1.26 0.16 113.62 136.58 1xn8 n SER 46 Ca 0.45 0.26 -0.53 0.00 1.01 0.00 0.00 58.87 60.06 1xn8 n SER 46 Cb 0.44 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.98 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xn8 n ASP 47 N -4.08 2.40 0.25 6.43 9.92 -1.26 -4.72 116.55 125.49 1xn8 n ASP 47 Ca -0.14 0.78 0.17 0.00 -0.53 0.00 0.00 54.79 55.07 1xn8 n ASP 47 Cb 0.41 -1.22 0.89 0.00 -0.64 0.00 0.00 41.12 40.56 1xn8 n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xn8 h ALA 48 N 9.68 1.00 -0.23 2.24 0.00 -2.00 0.34 119.26 130.29 1xn8 h ALA 48 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xn8 h ALA 48 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xn8 h ALA 48 CO 0.99 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.39 1xn8 n GLU 49 N -2.66 1.71 -2.73 0.00 0.28 -1.26 -4.19 120.64 111.79 1xn8 n GLU 49 Ca -0.02 -0.89 -0.07 0.00 -0.16 0.00 0.00 57.16 56.01 1xn8 n GLU 49 Cb 0.06 -1.31 0.07 0.00 1.43 0.00 0.00 31.44 31.69 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 0.20 -2.62 -3.23 -1.84 9.36 0.12 -5.04 117.16 114.10 1xn8 n TYR 50 Ca 0.08 -1.60 -0.24 0.00 3.32 0.00 0.00 57.90 59.46 1xn8 n TYR 50 Cb 0.28 1.48 -0.06 0.00 -0.63 0.00 0.00 39.34 40.41 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 1.29 0.64 -1.82 2.97 5.41 -1.23 -4.58 119.36 122.02 1xn8 n ILE 51 Ca 0.06 -4.60 -0.32 0.00 1.00 0.00 0.00 62.75 58.89 1xn8 n ILE 51 Cb 0.66 -1.70 0.03 0.00 -0.71 0.00 0.00 39.64 37.92 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 -1.96 3.17 -0.40 0.38 0.04 -1.26 -5.04 135.00 129.92 1xn8 s PRO 52 Ca 0.39 1.06 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1xn8 s PRO 52 Cb 0.20 -2.02 0.22 0.00 0.04 0.00 0.00 34.50 32.94 1xn8 s PRO 52 CO -0.08 -0.92 0.46 -0.11 0.04 0.00 0.00 177.00 176.39 1xn8 n LEU 53 N -2.56 -0.21 -4.79 -3.56 7.94 -1.26 -5.05 117.00 107.51 1xn8 n LEU 53 Ca 0.08 -4.51 -0.29 0.00 -1.11 0.00 0.00 56.01 50.18 1xn8 n LEU 53 Cb 0.53 0.61 0.13 0.00 0.53 0.00 0.00 43.42 45.23 1xn8 n LEU 53 CO 0.52 1.99 0.71 -2.16 -1.11 0.00 0.00 177.39 177.34 1xn8 s PRO 54 N -0.64 1.22 0.52 1.96 0.04 -1.26 -4.81 135.00 132.03 1xn8 s PRO 54 Ca 0.34 0.31 0.28 0.00 0.04 0.00 0.00 61.00 61.98 1xn8 s PRO 54 Cb 0.12 -1.85 1.43 0.00 0.04 0.00 0.00 34.50 34.24 1xn8 s PRO 54 CO -0.15 -2.15 2.05 1.49 0.04 0.00 0.00 177.00 178.28 1xn8 h GLU 55 N -1.47 0.00 0.33 4.56 4.81 -2.00 -0.97 114.58 119.85 1xn8 h GLU 55 Ca -0.50 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1xn8 h GLU 55 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1xn8 h GLU 55 CO 0.62 0.12 -0.16 1.79 -0.73 0.00 0.00 179.01 180.65 1xn8 h THR 56 N 0.00 0.59 0.46 0.32 1.35 -1.92 0.07 112.91 113.78 1xn8 h THR 56 Ca -0.00 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 65.16 1xn8 h THR 56 Cb 0.38 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xn8 h THR 56 CO 0.02 0.11 -0.22 0.58 -0.25 0.00 0.00 175.52 175.76 1xn8 h VAL 57 N -0.87 0.54 -0.88 6.82 2.07 -1.78 1.19 116.25 123.35 1xn8 h VAL 57 Ca -0.05 -0.15 0.18 0.00 0.82 0.00 0.00 66.70 67.51 1xn8 h VAL 57 Cb 0.53 0.61 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 1xn8 h VAL 57 CO 0.07 0.03 0.43 0.03 0.02 0.00 0.00 177.57 178.15 1xn8 h ARG 58 N -0.71 0.51 -0.15 1.57 3.08 -1.27 1.47 114.38 118.88 1xn8 h ARG 58 Ca -0.06 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 1xn8 h ARG 58 Cb 0.52 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1xn8 h ARG 58 CO 0.10 0.34 -0.58 1.25 -1.07 0.00 0.00 179.97 180.02 1xn8 h LEU 59 N 0.53 0.77 -0.66 3.04 5.85 -0.64 0.58 115.31 124.78 1xn8 h LEU 59 Ca 0.51 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1xn8 h LEU 59 Cb 0.86 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1xn8 h LEU 59 CO -0.44 1.25 0.40 0.00 -0.34 0.00 0.00 178.44 179.31 1xn8 h ALA 60 N 0.53 0.84 -0.09 1.25 0.00 0.39 0.57 119.26 122.75 1xn8 h ALA 60 Ca -0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1xn8 h ALA 60 Cb 1.21 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xn8 h ALA 60 CO 0.12 0.31 -0.86 1.25 0.00 0.00 0.00 179.25 180.07 1xn8 h LEU 61 N 0.89 0.85 -0.84 0.00 7.12 0.19 -0.07 115.31 123.47 1xn8 h LEU 61 Ca 0.24 -0.60 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 1xn8 h LEU 61 Cb -0.03 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 39.80 1xn8 h LEU 61 CO -0.04 1.40 0.49 -0.07 -0.13 0.00 0.00 178.44 180.09 1xn8 h LEU 62 N 0.45 1.02 0.11 2.25 3.38 0.65 1.21 115.31 124.38 1xn8 h LEU 62 Ca -0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1xn8 h LEU 62 Cb 1.49 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1xn8 h LEU 62 CO 0.17 0.79 -0.05 0.11 0.09 0.00 0.00 178.44 179.55 1xn8 h LYS 63 N 1.15 -0.14 -0.05 1.13 1.57 0.17 0.18 116.57 120.59 1xn8 h LYS 63 Ca 0.30 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1xn8 h LYS 63 Cb -0.02 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1xn8 h LYS 63 CO -0.05 0.32 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.97 1xn8 h LEU 64 N -0.68 -0.31 -1.05 2.94 3.38 -0.79 0.69 115.31 119.50 1xn8 h LEU 64 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xn8 h LEU 64 Cb 0.52 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1xn8 h LEU 64 CO 0.02 -0.14 0.64 0.77 0.09 0.00 0.00 178.44 179.82 1xn8 h SER 65 N -0.15 1.10 0.02 -0.43 4.64 0.15 0.48 113.55 119.35 1xn8 h SER 65 Ca 0.06 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1xn8 h SER 65 Cb 0.23 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1xn8 h SER 65 CO -0.14 0.79 -0.28 -0.61 -0.87 0.00 0.00 176.83 175.72 1xn8 h GLN 66 N 1.29 0.41 0.33 4.77 4.15 0.33 0.74 115.11 127.13 1xn8 h GLN 66 Ca 0.36 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1xn8 h GLN 66 Cb -0.13 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1xn8 h GLN 66 CO -0.08 0.66 -0.16 0.35 -1.93 0.00 0.00 178.83 177.67 1xn8 h PHE 67 N 0.36 -0.41 0.59 3.99 3.57 0.16 -1.81 116.94 123.39 1xn8 h PHE 67 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1xn8 h PHE 67 Cb 0.69 0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.57 1xn8 h PHE 67 CO 0.02 -0.07 -0.29 1.88 -2.23 0.00 0.00 178.31 177.63 1xn8 h TYR 68 N -0.89 -0.74 -0.50 0.41 0.05 -0.95 -0.81 116.97 113.53 1xn8 h TYR 68 Ca -0.04 -0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.86 1xn8 h TYR 68 Cb 0.52 0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 1xn8 h TYR 68 CO 0.03 -0.44 0.49 0.00 -1.05 0.00 0.00 178.16 177.19 1xn8 h ALA 69 N -0.49 2.26 -0.09 3.88 0.00 -0.97 0.56 119.26 124.42 1xn8 h ALA 69 Ca -0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1xn8 h ALA 69 Cb 0.64 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xn8 h ALA 69 CO 0.13 -0.74 -0.49 1.25 0.00 0.00 0.00 179.25 179.40 1xn8 h LEU 70 N 0.00 0.59 -3.64 0.00 5.85 -0.51 -3.08 115.31 114.51 1xn8 h LEU 70 Ca 0.24 -0.65 -0.38 0.00 0.84 0.00 0.00 57.88 57.93 1xn8 h LEU 70 Cb 1.20 -0.17 -0.22 0.00 0.37 0.00 0.00 40.66 41.84 1xn8 h LEU 70 CO -0.00 1.15 0.48 2.30 -0.34 0.00 0.00 178.44 182.02 1xn8 n ILE 71 N -4.25 2.83 -0.04 4.05 -5.35 0.15 -4.10 119.36 112.64 1xn8 n ILE 71 Ca -0.08 -1.58 -0.09 0.00 -0.27 0.00 0.00 62.75 60.73 1xn8 n ILE 71 Cb 0.60 -0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 37.96 1xn8 n ILE 71 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1xn8 n ASN 72 N -0.69 1.30 -3.28 7.28 2.85 0.13 -4.83 115.26 118.02 1xn8 n ASN 72 Ca 0.47 0.21 -0.28 0.00 -0.11 0.00 0.00 54.58 54.87 1xn8 n ASN 72 Cb 1.45 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 41.92 1xn8 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xn8 n GLY 73 N 2.35 5.16 2.76 8.20 0.00 -1.19 -5.03 105.19 117.45 1xn8 n GLY 73 Ca -0.15 -2.77 -0.19 0.00 0.00 0.00 0.00 46.02 42.90 1xn8 n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 74 N 0.45 2.32 0.00 1.61 2.03 -1.26 -4.29 116.55 117.41 1xn8 n ASP 74 Ca 0.31 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 53.23 1xn8 n ASP 74 Cb 0.40 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1xn8 n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xn8 n GLU 75 N -1.41 0.00 -2.92 -0.67 1.02 -1.26 -4.53 120.64 110.88 1xn8 n GLU 75 Ca -0.02 0.19 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 1xn8 n GLU 75 Cb 0.46 -0.67 0.04 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.39 -1.18 -4.76 1.62 7.64 -1.26 -5.13 113.62 110.15 1xn8 n SER 76 Ca 0.00 -3.37 -0.40 0.00 1.01 0.00 0.00 58.87 56.11 1xn8 n SER 76 Cb 0.00 0.91 -0.04 0.00 -1.01 0.00 0.00 64.21 64.07 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xn8 s ILE 77 N -0.68 3.27 0.55 0.44 1.01 -1.26 -5.00 121.20 119.53 1xn8 s ILE 77 Ca 0.30 1.27 -0.17 0.00 0.00 0.00 0.00 60.65 62.05 1xn8 s ILE 77 Cb 0.30 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 1xn8 s ILE 77 CO -0.08 0.29 1.04 -0.63 0.00 0.00 0.00 174.94 175.56 1xn8 s ILE 78 N -1.17 3.95 -0.19 2.92 1.01 -1.24 -4.89 121.20 121.57 1xn8 s ILE 78 Ca 0.46 1.00 -0.34 0.00 0.00 0.00 0.00 60.65 61.77 1xn8 s ILE 78 Cb -0.34 -3.46 0.14 0.00 0.01 0.00 0.00 42.46 38.81 1xn8 s ILE 78 CO 0.44 -0.47 1.20 -0.75 0.00 0.00 0.00 174.94 175.36 1xn8 s LYS 79 N -3.85 0.31 -0.71 2.79 2.47 -1.26 -2.43 119.74 117.06 1xn8 s LYS 79 Ca 0.64 -0.08 -0.14 0.00 -1.56 0.00 0.00 55.97 54.82 1xn8 s LYS 79 Cb -0.15 0.14 -0.20 0.00 -1.46 0.00 0.00 37.83 36.17 1xn8 s LYS 79 CO 0.31 -0.13 1.73 0.41 0.16 0.00 0.00 175.35 177.83 1xn8 n GLY 80 N 0.04 -0.35 0.45 5.54 0.00 -1.26 -4.64 105.19 104.96 1xn8 n GLY 80 Ca -0.01 0.41 0.26 0.00 0.00 0.00 0.00 46.02 46.68 1xn8 n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1xn8 h TYR 81 N 8.19 0.00 0.00 1.61 -0.00 -1.97 0.11 116.97 124.91 1xn8 h TYR 81 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 1xn8 h TYR 81 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.58 1xn8 h TYR 81 CO 0.88 0.00 -0.34 2.41 -0.00 0.00 0.00 178.16 181.11 1xn8 n THR 82 N -3.86 0.82 -4.61 -0.90 -1.04 -1.26 -5.07 114.28 98.36 1xn8 n THR 82 Ca 0.15 -1.07 -0.29 0.00 -2.04 0.00 0.00 64.05 60.80 1xn8 n THR 82 Cb 0.93 0.21 -0.10 0.00 -1.82 0.00 0.00 70.33 69.55 1xn8 n THR 82 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xn8 s THR 83 N -1.24 1.86 0.31 12.58 2.01 0.38 -5.16 115.64 126.38 1xn8 s THR 83 Ca 0.16 -1.97 0.03 0.00 0.31 0.00 0.00 61.69 60.21 1xn8 s THR 83 Cb 0.15 -2.83 0.06 0.00 0.01 0.00 0.00 72.50 69.88 1xn8 s THR 83 CO -0.00 0.00 0.43 -0.62 -0.69 0.00 0.00 174.62 173.74 1xn8 n GLU 84 N -1.05 0.59 -2.33 4.92 4.71 -1.26 -4.67 120.64 121.55 1xn8 n GLU 84 Ca -0.07 -1.46 -0.42 0.00 -0.01 0.00 0.00 57.16 55.19 1xn8 n GLU 84 Cb 0.67 -0.20 -0.03 0.00 -1.01 0.00 0.00 31.44 30.87 1xn8 n GLU 84 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1xn8 s LYS 85 N -3.46 4.31 0.00 3.49 1.02 -1.26 -4.75 119.74 119.09 1xn8 s LYS 85 Ca 0.31 1.83 0.00 0.00 0.02 0.00 0.00 55.97 58.13 1xn8 s LYS 85 Cb -0.02 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1xn8 s LYS 85 CO 0.20 -0.52 0.00 -0.89 -0.92 0.00 0.00 175.35 173.22 1xn8 n ILE 86 N 4.65 0.00 -2.71 2.17 5.41 -1.26 -5.10 119.36 122.51 1xn8 n ILE 86 Ca 0.12 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.79 1xn8 n ILE 86 Cb 0.45 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.45 1xn8 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xn8 n GLY 87 N 2.03 1.49 0.00 7.39 0.00 -1.26 -5.03 105.19 109.82 1xn8 n GLY 87 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.26 0.00 -1.42 1.61 2.03 -1.26 -4.82 116.55 112.42 1xn8 n ASP 88 Ca 0.04 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.32 1xn8 n ASP 88 Cb 0.82 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.38 1xn8 n ASP 88 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xn8 n TYR 89 N 0.00 1.35 -0.09 -0.67 4.01 -1.26 -4.78 117.16 115.71 1xn8 n TYR 89 Ca 0.00 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 56.99 1xn8 n TYR 89 Cb 0.00 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 1xn8 n TYR 89 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1xn8 n SER 90 N 0.03 0.00 -3.67 7.72 2.88 -1.26 -4.76 113.62 114.56 1xn8 n SER 90 Ca 0.22 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.52 1xn8 n SER 90 Cb 0.92 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.41 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 -1.95 -1.95 0.66 4.01 -1.02 -4.20 117.16 112.71 1xn8 n TYR 91 Ca 0.00 0.69 -0.42 0.00 -0.16 0.00 0.00 57.90 58.01 1xn8 n TYR 91 Cb 0.00 -3.94 -0.03 0.00 -0.31 0.00 0.00 39.34 35.06 1xn8 n TYR 91 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xn8 s THR 92 N -3.60 3.42 0.73 -0.72 2.01 -1.24 -3.64 115.64 112.60 1xn8 s THR 92 Ca 0.23 0.58 -0.11 0.00 0.31 0.00 0.00 61.69 62.69 1xn8 s THR 92 Cb -0.07 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.10 1xn8 s THR 92 CO 0.83 -0.04 1.10 -0.76 -0.69 0.00 0.00 174.62 175.05 1xn8 s LEU 93 N 3.86 2.84 0.61 4.42 1.43 -0.78 -3.70 118.68 127.36 1xn8 s LEU 93 Ca 0.76 1.19 0.37 0.00 -1.03 0.00 0.00 54.13 55.41 1xn8 s LEU 93 Cb -0.36 -3.95 1.97 0.00 0.03 0.00 0.00 46.19 43.89 1xn8 s LEU 93 CO 0.32 -1.49 2.24 1.23 0.23 0.00 0.00 176.35 178.88 1xn8 h GLY 94 N -0.76 0.00 1.42 -3.19 0.00 -1.93 0.00 103.07 98.61 1xn8 h GLY 94 Ca -0.45 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 1xn8 h GLY 94 CO 0.63 0.00 -1.12 -0.55 0.00 0.00 0.00 176.54 175.49 1xn8 h ASP 95 N 0.00 0.00 0.00 0.19 3.32 -2.01 -3.48 116.42 114.44 1xn8 h ASP 95 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xn8 h ASP 95 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xn8 h ASP 95 CO 0.00 0.66 0.00 0.61 -1.72 0.00 0.00 179.24 178.79 1xn8 n GLY 96 N 1.36 1.61 3.79 2.75 0.00 -0.01 -5.11 105.19 109.57 1xn8 n GLY 96 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 5.84 -1.41 1.61 0.01 -1.26 -4.83 113.70 111.66 1xn8 s SER 97 Ca 0.00 0.32 -0.09 0.00 1.31 0.00 0.00 55.95 57.48 1xn8 s SER 97 Cb 0.00 -1.79 0.07 0.00 0.21 0.00 0.00 66.02 64.51 1xn8 s SER 97 CO 0.00 0.39 2.36 -1.54 0.41 0.00 0.00 173.24 174.87 1xn8 n SER 98 N 2.05 6.63 -4.40 2.44 3.41 -1.26 -1.87 113.62 120.62 1xn8 n SER 98 Ca -0.19 -2.93 -0.52 0.00 -0.26 0.00 0.00 58.87 54.96 1xn8 n SER 98 Cb 0.54 -1.50 -0.08 0.00 -0.26 0.00 0.00 64.21 62.91 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 3.60 1.72 -4.82 1.04 0.00 -1.24 -4.90 117.00 112.39 1xn8 n LEU 99 Ca 0.58 0.45 -0.22 0.00 0.00 0.00 0.00 56.01 56.81 1xn8 n LEU 99 Cb 0.30 -1.17 -0.05 0.00 0.00 0.00 0.00 43.42 42.51 1xn8 n LEU 99 CO 0.81 -0.76 -0.06 -1.58 0.00 0.00 0.00 177.39 175.80 1xn8 s GLN 100 N 6.32 2.40 0.77 1.96 0.74 -1.26 -4.69 119.66 125.89 1xn8 s GLN 100 Ca 1.13 -1.68 -0.16 0.00 0.05 0.00 0.00 55.36 54.70 1xn8 s GLN 100 Cb -1.02 -2.21 -0.09 0.00 1.10 0.00 0.00 33.01 30.79 1xn8 s GLN 100 CO 0.53 -0.18 0.00 1.63 -0.55 0.00 0.00 175.29 176.72 1xn8 n LYS 101 N -1.44 0.08 0.00 1.67 5.02 -1.26 -4.97 118.16 117.27 1xn8 n LYS 101 Ca 0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1xn8 n LYS 101 Cb 0.63 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1xn8 n LYS 101 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xn8 n PRO 102 N 0.57 -0.19 -3.91 1.97 -0.04 -1.26 -5.02 135.00 127.11 1xn8 n PRO 102 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 1xn8 n PRO 102 Cb 0.51 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.84 1xn8 n PRO 102 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xn8 s ASP 103 N -1.25 4.61 -0.01 3.54 1.01 -1.26 -4.81 116.67 118.50 1xn8 s ASP 103 Ca 0.00 -3.54 0.04 0.00 0.71 0.00 0.00 52.55 49.76 1xn8 s ASP 103 Cb 0.00 -1.62 0.11 0.00 1.01 0.00 0.00 42.92 42.42 1xn8 s ASP 103 CO 0.00 -0.14 1.09 1.33 0.21 0.00 0.00 175.17 177.66 1xn8 n VAL 104 N 2.40 1.07 -0.36 -1.27 0.24 -1.26 -4.65 118.33 114.50 1xn8 n VAL 104 Ca 0.14 -1.08 -0.03 0.00 -2.04 0.00 0.00 64.34 61.34 1xn8 n VAL 104 Cb 0.34 0.45 0.11 0.00 -1.47 0.00 0.00 33.84 33.26 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 0.61 1.25 0.00 6.34 5.03 -1.98 -0.56 116.97 127.66 1xn8 h TYR 105 Ca 0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1xn8 h TYR 105 Cb 0.61 -0.41 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1xn8 h TYR 105 CO 0.08 0.82 -0.34 0.00 -1.32 0.00 0.00 178.16 177.40 1xn8 h ALA 106 N 1.33 1.14 -0.14 1.82 0.00 -1.97 0.99 119.26 122.43 1xn8 h ALA 106 Ca 0.35 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xn8 h ALA 106 Cb -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xn8 h ALA 106 CO -0.07 0.42 -0.11 -0.07 0.00 0.00 0.00 179.25 179.43 1xn8 h LEU 107 N 0.00 0.34 0.00 0.00 3.38 -1.46 -3.02 115.31 114.55 1xn8 h LEU 107 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1xn8 h LEU 107 Cb 0.75 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xn8 h LEU 107 CO 0.04 0.72 -0.23 0.16 0.09 0.00 0.00 178.44 179.23 1xn8 h ILE 108 N -0.04 0.00 -0.40 1.22 3.07 -1.01 -3.23 117.51 117.12 1xn8 h ILE 108 Ca 0.03 -0.93 0.12 0.00 1.55 0.00 0.00 64.86 65.63 1xn8 h ILE 108 Cb 0.62 1.81 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 1xn8 h ILE 108 CO 0.03 0.00 0.49 0.50 -1.05 0.00 0.00 178.15 178.12 1xn8 h LYS 109 N 0.00 0.00 -0.00 0.16 3.11 0.12 1.70 116.57 121.65 1xn8 h LYS 109 Ca 0.00 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 1xn8 h LYS 109 Cb 0.96 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 1xn8 h LYS 109 CO 0.00 0.00 -0.77 0.22 -2.81 0.00 0.00 179.45 176.09 1xn8 h ASP 110 N 0.00 0.08 -0.20 4.20 3.58 -1.63 -3.15 116.42 119.30 1xn8 h ASP 110 Ca 0.19 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1xn8 h ASP 110 Cb 1.17 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1xn8 h ASP 110 CO -0.00 0.81 -0.03 -1.22 -2.88 0.00 0.00 179.24 175.92 1xn8 n TYR 111 N -3.67 0.68 -2.90 0.28 4.02 0.50 -5.01 117.16 111.07 1xn8 n TYR 111 Ca -0.02 -1.07 -0.37 0.00 -0.01 0.00 0.00 57.90 56.44 1xn8 n TYR 111 Cb 0.74 -0.30 -0.06 0.00 -0.02 0.00 0.00 39.34 39.69 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xn8 s VAL 112 N -2.94 4.34 -0.88 -0.72 1.01 0.30 -4.88 120.40 116.64 1xn8 s VAL 112 Ca 0.40 1.63 -0.33 0.00 0.00 0.00 0.00 61.98 63.68 1xn8 s VAL 112 Cb 0.34 -3.96 -0.20 0.00 0.00 0.00 0.00 36.38 32.56 1xn8 s VAL 112 CO 0.05 0.17 2.59 1.17 0.00 0.00 0.00 175.10 179.08 1xn8 n LYS 113 N 0.64 0.09 -1.35 2.72 0.00 -1.26 -4.86 118.16 114.15 1xn8 n LYS 113 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 58.31 58.05 1xn8 n LYS 113 Cb 0.50 -1.65 0.21 0.00 0.00 0.00 0.00 35.03 34.09 1xn8 n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1xn8 n PRO 114 N 8.39 -2.05 -3.19 1.64 -0.04 -1.26 -4.99 135.00 133.49 1xn8 n PRO 114 Ca 0.62 -1.74 -0.36 0.00 -0.04 0.00 0.00 63.50 61.98 1xn8 n PRO 114 Cb 0.06 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 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 -4.24 4.70 -2.35 0.55 0.00 -1.26 -5.02 120.51 112.89 1xn8 n ALA 115 Ca -0.19 -4.79 -0.30 0.00 0.00 0.00 0.00 53.44 48.15 1xn8 n ALA 115 Cb 0.53 -1.73 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.05 3.22 0.21 0.00 2.15 -1.26 -5.14 116.67 113.80 1xn8 s ASP 116 Ca 0.35 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1xn8 s ASP 116 Cb 0.09 -0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.36 1xn8 s ASP 116 CO 0.05 0.28 0.00 -0.81 -0.17 0.00 0.00 175.17 174.52 1xn8 n PRO 117 N 1.94 0.69 -0.88 4.34 -0.04 -1.26 -4.90 135.00 134.89 1xn8 n PRO 117 Ca -0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 1xn8 n PRO 117 Cb 0.52 0.00 0.09 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 -0.62 4.83 0.15 3.54 2.03 -1.26 -4.12 116.55 121.10 1xn8 n ASP 118 Ca 0.00 -3.12 0.07 0.00 0.52 0.00 0.00 54.79 52.25 1xn8 n ASP 118 Cb 0.00 -0.84 0.06 0.00 -0.72 0.00 0.00 41.12 39.62 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1xn8 h LEU 119 N 1.55 0.00 -9.17 -2.67 8.10 -2.01 -3.45 115.31 107.65 1xn8 h LEU 119 Ca 0.40 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.84 1xn8 h LEU 119 Cb 1.66 0.00 0.24 0.00 -0.44 0.00 0.00 40.66 42.12 1xn8 h LEU 119 CO 0.82 0.28 -1.62 1.21 -4.11 0.00 0.00 178.44 175.02 1xn8 n GLU 120 N -3.09 -0.08 -1.53 0.17 2.13 -1.26 -4.51 120.64 112.47 1xn8 n GLU 120 Ca 0.01 -0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1xn8 n GLU 120 Cb 0.65 -1.19 -0.10 0.00 0.27 0.00 0.00 31.44 31.08 1xn8 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xn8 n GLY 121 N 3.06 -0.32 3.53 8.31 0.00 -1.26 -4.86 105.19 113.66 1xn8 n GLY 121 Ca -0.00 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1xn8 n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xn8 s ILE 122 N 14.36 2.91 0.00 -0.61 1.01 -1.26 -4.54 121.20 133.06 1xn8 s ILE 122 Ca 0.84 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1xn8 s ILE 122 Cb -0.12 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1xn8 s ILE 122 CO 0.15 -0.25 0.00 -0.62 0.00 0.00 0.00 174.94 174.22 1xn8 n GLU 123 N -0.32 -1.11 -0.10 2.79 1.02 -1.26 -4.79 120.64 116.86 1xn8 n GLU 123 Ca -0.08 0.28 -0.15 0.00 -0.02 0.00 0.00 57.16 57.19 1xn8 n GLU 123 Cb 0.58 -4.24 -0.05 0.00 -0.02 0.00 0.00 31.44 27.70 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 0.88 0.17 0.62 0.00 -1.26 -3.59 120.51 118.33 1xn8 n ALA 124 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 53.44 52.50 1xn8 n ALA 124 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.00 -0.51 0.18 0.00 1.63 -1.87 -2.15 116.57 112.85 1xn8 h LYS 125 Ca -0.21 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1xn8 h LYS 125 Cb 1.10 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 1xn8 h LYS 125 CO -0.13 -0.34 -0.52 0.28 -3.45 0.00 0.00 179.45 175.29 1xn8 h VAL 126 N -0.53 0.01 -1.46 2.00 2.07 -1.96 1.32 116.25 117.69 1xn8 h VAL 126 Ca -0.01 0.00 0.49 0.00 0.82 0.00 0.00 66.70 68.00 1xn8 h VAL 126 Cb 0.49 0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 30.14 1xn8 h VAL 126 CO -0.05 0.00 0.96 0.54 0.02 0.00 0.00 177.57 179.04 1xn8 n ARG 127 N -5.50 -0.03 -0.07 1.57 1.74 -1.11 0.10 116.66 113.36 1xn8 n ARG 127 Ca -0.09 1.24 -0.04 0.00 -0.77 0.00 0.00 57.85 58.18 1xn8 n ARG 127 Cb 0.42 -2.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.36 1xn8 n ARG 127 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1xn8 h MET 128 N 0.00 0.00 -0.57 5.56 4.05 -0.16 -3.18 114.93 120.63 1xn8 h MET 128 Ca 0.89 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 60.48 1xn8 h MET 128 Cb 2.97 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 33.75 1xn8 h MET 128 CO -0.41 0.08 0.74 -0.09 0.23 0.00 0.00 176.91 177.46 1xn8 h ARG 129 N -1.00 0.00 0.01 0.39 1.12 0.34 0.55 114.38 115.78 1xn8 h ARG 129 Ca -0.02 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.79 1xn8 h ARG 129 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1xn8 h ARG 129 CO -0.01 0.00 -0.23 1.03 -3.11 0.00 0.00 179.97 177.65 1xn8 h SER 130 N 0.00 0.19 0.00 -3.80 0.87 0.53 -3.50 113.55 107.84 1xn8 h SER 130 Ca 0.27 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1xn8 h SER 130 Cb 1.74 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1xn8 h SER 130 CO -0.00 0.98 0.00 0.00 -0.53 0.00 0.00 176.83 177.27