#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 -0.76 -0.89 4.77 -1.26 -4.74 117.00 114.12 1xn8 n LEU 2 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1xn8 n LEU 2 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1xn8 n LEU 2 CO 0.00 0.00 0.26 0.18 -1.33 0.00 0.00 177.39 176.50 1xn8 n LEU 3 N 0.00 1.18 -4.87 2.23 4.32 -1.26 -5.07 117.00 113.53 1xn8 n LEU 3 Ca 0.00 -2.17 -0.24 0.00 -0.02 0.00 0.00 56.01 53.58 1xn8 n LEU 3 Cb 0.00 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 41.61 1xn8 n LEU 3 CO 0.00 0.60 0.01 0.27 -1.22 0.00 0.00 177.39 177.05 1xn8 s ILE 4 N -1.04 2.13 0.33 -0.08 -4.36 -1.26 -5.15 121.20 111.76 1xn8 s ILE 4 Ca 0.23 -1.46 0.06 0.00 -0.26 0.00 0.00 60.65 59.22 1xn8 s ILE 4 Cb 0.23 -2.58 -0.07 0.00 1.25 0.00 0.00 42.46 41.30 1xn8 s ILE 4 CO -0.06 0.00 -0.01 0.28 0.24 0.00 0.00 174.94 175.39 1xn8 s THR 5 N -2.64 1.63 0.16 8.37 -1.32 -1.26 -5.05 115.64 115.54 1xn8 s THR 5 Ca 0.41 -2.06 -0.00 0.00 -1.21 0.00 0.00 61.69 58.82 1xn8 s THR 5 Cb -0.02 -2.70 -0.14 0.00 -1.51 0.00 0.00 72.50 68.13 1xn8 s THR 5 CO 0.24 -0.13 1.39 1.55 -2.21 0.00 0.00 174.62 175.46 1xn8 h PRO 6 N 2.09 0.31 -0.38 7.08 0.13 -1.90 -3.13 132.00 136.21 1xn8 h PRO 6 Ca -0.41 -0.30 0.08 0.00 -0.87 0.00 0.00 66.00 64.50 1xn8 h PRO 6 Cb 1.24 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1xn8 h PRO 6 CO 0.71 0.98 -0.15 -0.44 -0.23 0.00 0.00 178.00 178.87 1xn8 h ASP 7 N 0.19 -0.53 -0.98 1.44 5.19 -1.96 0.70 116.42 120.47 1xn8 h ASP 7 Ca -0.05 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1xn8 h ASP 7 Cb 1.44 0.30 -0.05 0.00 0.18 0.00 0.00 39.33 41.21 1xn8 h ASP 7 CO 0.14 -0.19 0.65 -0.33 -3.12 0.00 0.00 179.24 176.39 1xn8 h GLU 8 N -0.08 1.29 -0.30 3.56 4.39 -1.97 0.22 114.58 121.68 1xn8 h GLU 8 Ca 0.19 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.87 1xn8 h GLU 8 Cb 0.37 -0.29 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 1xn8 h GLU 8 CO -0.43 0.85 -0.14 1.25 -1.16 0.00 0.00 179.01 179.39 1xn8 h LEU 9 N 1.33 -0.46 -1.05 1.33 5.85 -0.86 0.52 115.31 121.96 1xn8 h LEU 9 Ca 0.36 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 59.10 1xn8 h LEU 9 Cb -0.15 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1xn8 h LEU 9 CO -0.08 -0.17 -0.45 0.07 -0.34 0.00 0.00 178.44 177.47 1xn8 h LYS 10 N -0.09 0.00 -0.25 1.25 5.09 -0.62 0.27 116.57 122.21 1xn8 h LYS 10 Ca 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.82 1xn8 h LYS 10 Cb 0.32 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 1xn8 h LYS 10 CO -0.36 0.45 -0.17 1.03 -2.09 0.00 0.00 179.45 178.31 1xn8 h SER 11 N 0.00 0.43 0.07 7.07 0.87 0.22 -3.20 113.55 119.01 1xn8 h SER 11 Ca -0.00 -0.12 -0.25 0.00 -1.23 0.00 0.00 61.79 60.19 1xn8 h SER 11 Cb 0.84 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1xn8 h SER 11 CO 0.06 0.62 -1.31 0.22 -0.53 0.00 0.00 176.83 175.89 1xn8 h TYR 12 N 0.40 0.27 -3.80 2.24 3.20 0.31 -3.46 116.97 116.13 1xn8 h TYR 12 Ca 0.07 -0.20 -0.51 0.00 3.14 0.00 0.00 58.73 61.23 1xn8 h TYR 12 Cb 0.53 -0.01 0.03 0.00 1.54 0.00 0.00 36.73 38.82 1xn8 h TYR 12 CO 0.02 1.51 0.53 0.45 -1.64 0.00 0.00 178.16 179.03 1xn8 s SER 13 N -6.91 7.11 -0.38 -2.11 0.15 0.90 -4.93 113.70 107.53 1xn8 s SER 13 Ca -0.23 2.39 0.06 0.00 0.70 0.00 0.00 55.95 58.87 1xn8 s SER 13 Cb 0.04 -2.63 0.56 0.00 -1.71 0.00 0.00 66.02 62.28 1xn8 s SER 13 CO 0.70 -0.27 1.67 1.33 1.20 0.00 0.00 173.24 177.87 1xn8 n VAL 14 N 1.19 2.89 -4.21 4.45 0.24 -1.26 -4.72 118.33 116.91 1xn8 n VAL 14 Ca -0.00 -2.55 -0.34 0.00 -2.04 0.00 0.00 64.34 59.41 1xn8 n VAL 14 Cb 0.44 -0.49 -0.11 0.00 -1.47 0.00 0.00 33.84 32.21 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 -3.34 3.11 0.48 6.34 0.08 -1.26 -4.97 117.98 118.41 1xn8 s PHE 15 Ca 0.51 -0.18 0.30 0.00 0.12 0.00 0.00 56.93 57.68 1xn8 s PHE 15 Cb 0.44 -2.02 1.65 0.00 -0.57 0.00 0.00 43.02 42.52 1xn8 s PHE 15 CO 0.04 0.01 2.15 1.05 -0.10 0.00 0.00 175.22 178.37 1xn8 h GLU 16 N 6.80 0.00 -0.14 0.44 4.11 -1.98 -1.77 114.58 122.04 1xn8 h GLU 16 Ca -0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.07 1xn8 h GLU 16 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1xn8 h GLU 16 CO 0.65 0.07 0.00 0.66 0.07 0.00 0.00 179.01 180.47 1xn8 h SER 17 N 0.00 0.24 0.07 3.06 4.64 -1.92 0.56 113.55 120.20 1xn8 h SER 17 Ca -0.00 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 60.93 1xn8 h SER 17 Cb 0.21 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1xn8 h SER 17 CO 0.01 0.48 -0.27 0.58 -0.87 0.00 0.00 176.83 176.76 1xn8 h VAL 18 N -0.01 1.26 -0.27 0.95 2.07 -1.60 0.16 116.25 118.80 1xn8 h VAL 18 Ca 0.04 -1.22 -0.18 0.00 0.82 0.00 0.00 66.70 66.16 1xn8 h VAL 18 Cb 0.36 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1xn8 h VAL 18 CO 0.01 0.38 -0.52 0.11 0.02 0.00 0.00 177.57 177.56 1xn8 h LYS 19 N 0.29 0.84 0.05 1.57 1.57 -1.07 -3.25 116.57 116.56 1xn8 h LYS 19 Ca 0.04 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1xn8 h LYS 19 Cb 0.64 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1xn8 h LYS 19 CO 0.05 1.17 -0.02 1.79 -0.57 0.00 0.00 179.45 181.86 1xn8 h THR 20 N 0.61 1.19 -1.60 -0.16 1.35 0.50 -3.45 112.91 111.35 1xn8 h THR 20 Ca 0.01 -0.82 -0.62 0.00 -0.55 0.00 0.00 66.41 64.43 1xn8 h THR 20 Cb 1.13 1.74 0.15 0.00 -1.73 0.00 0.00 68.15 69.44 1xn8 h THR 20 CO 0.12 0.21 -0.91 0.54 -0.25 0.00 0.00 175.52 175.23 1xn8 n ARG 21 N -4.95 0.00 -2.39 4.72 3.00 0.53 -4.88 116.66 112.69 1xn8 n ARG 21 Ca -0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.42 1xn8 n ARG 21 Cb 0.21 -0.98 -0.02 0.00 0.00 0.00 0.00 32.46 31.66 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xn8 s PRO 22 N -0.98 3.67 0.41 5.56 0.04 -1.26 -4.87 135.00 137.57 1xn8 s PRO 22 Ca 0.59 1.30 0.19 0.00 0.04 0.00 0.00 61.00 63.11 1xn8 s PRO 22 Cb -0.65 -2.08 0.90 0.00 0.04 0.00 0.00 34.50 32.72 1xn8 s PRO 22 CO 0.61 -0.53 1.86 -0.44 0.04 0.00 0.00 177.00 178.54 1xn8 h ASP 23 N 1.20 0.00 0.31 6.66 3.32 -1.95 0.36 116.42 126.32 1xn8 h ASP 23 Ca -0.49 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1xn8 h ASP 23 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1xn8 h ASP 23 CO 0.59 0.30 -0.37 1.05 -1.72 0.00 0.00 179.24 179.09 1xn8 h GLU 24 N 0.00 0.09 0.02 3.56 4.11 -2.00 -2.18 114.58 118.18 1xn8 h GLU 24 Ca -0.00 -0.03 -0.26 0.00 0.07 0.00 0.00 59.36 59.13 1xn8 h GLU 24 Cb 0.66 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1xn8 h GLU 24 CO 0.04 0.45 -1.43 1.28 0.07 0.00 0.00 179.01 179.42 1xn8 n LEU 25 N -4.09 1.97 -0.30 3.06 4.77 -0.84 -3.12 117.00 118.46 1xn8 n LEU 25 Ca -0.02 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 1xn8 n LEU 25 Cb 0.42 -0.98 0.25 0.00 -2.33 0.00 0.00 43.42 40.78 1xn8 n LEU 25 CO 0.40 0.37 0.87 -0.07 -1.33 0.00 0.00 177.39 177.63 1xn8 h LEU 26 N -0.85 -0.23 -0.15 2.23 3.38 -0.33 1.14 115.31 120.50 1xn8 h LEU 26 Ca -0.38 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1xn8 h LEU 26 Cb 1.42 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1xn8 h LEU 26 CO -0.18 -0.22 -0.03 0.07 0.09 0.00 0.00 178.44 178.17 1xn8 h LYS 27 N 0.12 0.29 -0.75 1.13 2.10 -1.56 0.48 116.57 118.38 1xn8 h LYS 27 Ca 0.52 -0.11 0.09 0.00 -2.00 0.00 0.00 60.65 59.16 1xn8 h LYS 27 Cb 1.04 -0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 32.28 1xn8 h LYS 27 CO -0.73 0.56 0.40 1.96 -2.00 0.00 0.00 179.45 179.65 1xn8 h GLN 28 N -0.01 0.67 -0.19 0.07 4.20 0.02 0.38 115.11 120.25 1xn8 h GLN 28 Ca 0.04 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1xn8 h GLN 28 Cb 0.45 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.09 1xn8 h GLN 28 CO 0.01 0.44 -0.69 0.22 -0.67 0.00 0.00 178.83 178.14 1xn8 h ASP 29 N 0.69 0.89 -0.30 1.46 3.58 0.12 -2.33 116.42 120.53 1xn8 h ASP 29 Ca 0.36 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1xn8 h ASP 29 Cb 0.34 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1xn8 h ASP 29 CO -0.25 1.34 0.19 0.40 -2.88 0.00 0.00 179.24 178.04 1xn8 h ILE 30 N 0.55 1.08 -0.02 2.25 2.04 0.12 0.23 117.51 123.76 1xn8 h ILE 30 Ca -0.03 -0.16 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 1xn8 h ILE 30 Cb 1.31 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1xn8 h ILE 30 CO 0.14 0.08 -0.74 -0.07 0.00 0.00 0.00 178.15 177.57 1xn8 h LEU 31 N 0.41 0.15 -0.49 1.44 3.38 -0.10 -3.00 115.31 117.10 1xn8 h LEU 31 Ca 0.11 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1xn8 h LEU 31 Cb -0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xn8 h LEU 31 CO -0.02 0.83 -0.74 -0.08 0.09 0.00 0.00 178.44 178.52 1xn8 h GLU 32 N 0.08 0.12 0.00 1.13 4.81 -0.40 -2.85 114.58 117.47 1xn8 h GLU 32 Ca -0.02 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1xn8 h GLU 32 Cb 1.30 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1xn8 h GLU 32 CO 0.11 0.81 -0.21 0.00 -0.73 0.00 0.00 179.01 178.98 1xn8 h ALA 33 N 1.16 1.26 0.00 2.92 0.00 -0.53 -1.98 119.26 122.09 1xn8 h ALA 33 Ca -0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1xn8 h ALA 33 Cb 1.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1xn8 h ALA 33 CO 0.11 0.27 -0.82 0.00 0.00 0.00 0.00 179.25 178.80 1xn8 h THR 34 N 0.00 1.58 -0.79 0.00 1.03 -1.37 -2.93 112.91 110.43 1xn8 h THR 34 Ca -0.00 -2.80 0.06 0.00 -0.01 0.00 0.00 66.41 63.66 1xn8 h THR 34 Cb 0.52 2.51 -0.06 0.00 -1.07 0.00 0.00 68.15 70.05 1xn8 h THR 34 CO 0.03 0.80 0.48 0.00 -0.01 0.00 0.00 175.52 176.82 1xn8 h ALA 35 N 1.17 1.09 0.12 0.00 0.00 -1.24 1.36 119.26 121.75 1xn8 h ALA 35 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xn8 h ALA 35 Cb 1.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xn8 h ALA 35 CO 0.11 0.20 -0.06 0.22 0.00 0.00 0.00 179.25 179.72 1xn8 h ASP 36 N 0.87 -0.14 -0.70 0.00 3.58 -1.54 0.66 116.42 119.15 1xn8 h ASP 36 Ca 0.35 -0.32 0.06 0.00 0.42 0.00 0.00 57.03 57.54 1xn8 h ASP 36 Cb 0.18 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 1xn8 h ASP 36 CO -0.18 0.27 0.46 0.40 -2.88 0.00 0.00 179.24 177.31 1xn8 h ILE 37 N -0.57 1.03 -0.05 2.25 2.04 -1.24 0.41 117.51 121.38 1xn8 h ILE 37 Ca -0.02 -0.25 -0.21 0.00 1.00 0.00 0.00 64.86 65.37 1xn8 h ILE 37 Cb 0.45 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1xn8 h ILE 37 CO 0.03 0.14 -0.85 0.40 0.00 0.00 0.00 178.15 177.86 1xn8 h ILE 38 N 0.74 1.36 0.00 -0.67 2.04 0.20 -2.08 117.51 119.11 1xn8 h ILE 38 Ca 0.30 -2.25 -0.04 0.00 1.00 0.00 0.00 64.86 63.87 1xn8 h ILE 38 Cb 0.23 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1xn8 h ILE 38 CO -0.10 0.68 -0.19 -0.07 0.00 0.00 0.00 178.15 178.48 1xn8 h LEU 39 N 0.31 0.00 0.03 1.44 3.38 0.22 0.23 115.31 120.92 1xn8 h LEU 39 Ca -0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1xn8 h LEU 39 Cb 1.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.22 1xn8 h LEU 39 CO 0.15 0.19 -0.38 0.11 0.09 0.00 0.00 178.44 178.60 1xn8 h LYS 40 N 0.00 0.21 -0.04 1.13 1.57 -0.06 -3.13 116.57 116.25 1xn8 h LYS 40 Ca -0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1xn8 h LYS 40 Cb 0.61 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1xn8 h LYS 40 CO 0.02 1.03 0.00 1.33 -0.57 0.00 0.00 179.45 181.26 1xn8 n VAL 41 N -4.40 0.05 -4.46 0.50 0.24 -0.80 -4.54 118.33 104.92 1xn8 n VAL 41 Ca -0.11 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 1xn8 n VAL 41 Cb 0.59 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.78 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 0.92 -0.40 3.63 7.63 0.00 0.73 -3.70 105.19 114.00 1xn8 n GLY 42 Ca 0.16 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.30 -0.33 0.37 1.61 -3.43 -0.67 -5.01 115.29 104.53 1xn8 s HIS 43 Ca 0.79 0.77 0.08 0.00 -0.80 0.00 0.00 55.06 55.89 1xn8 s HIS 43 Cb -0.45 0.41 -0.05 0.00 -1.43 0.00 0.00 32.58 31.06 1xn8 s HIS 43 CO 1.00 -0.18 0.13 0.16 -2.00 0.00 0.00 174.74 173.86 1xn8 s ASP 44 N -0.07 4.47 -0.88 7.38 -4.77 -1.26 -4.65 116.67 116.90 1xn8 s ASP 44 Ca 0.04 -0.95 -0.13 0.00 -3.30 0.00 0.00 52.55 48.21 1xn8 s ASP 44 Cb -0.04 -0.58 0.23 0.00 -1.09 0.00 0.00 42.92 41.44 1xn8 s ASP 44 CO -0.08 -0.39 0.83 -0.36 0.70 0.00 0.00 175.17 175.86 1xn8 s PHE 45 N -2.52 3.86 0.00 2.11 0.08 -1.26 -4.86 117.98 115.39 1xn8 s PHE 45 Ca 0.39 -2.14 0.00 0.00 0.12 0.00 0.00 56.93 55.30 1xn8 s PHE 45 Cb 0.01 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 1xn8 s PHE 45 CO 0.22 -0.98 0.00 0.43 -0.10 0.00 0.00 175.22 174.79 1xn8 n SER 46 N 3.72 0.00 -4.44 1.36 7.64 -1.26 -3.76 113.62 116.88 1xn8 n SER 46 Ca 0.16 0.13 -0.63 0.00 1.01 0.00 0.00 58.87 59.54 1xn8 n SER 46 Cb 0.45 -0.34 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.94 0.98 0.17 6.43 9.92 -1.26 -4.70 116.55 126.15 1xn8 n ASP 47 Ca 0.00 0.86 0.12 0.00 -0.53 0.00 0.00 54.79 55.24 1xn8 n ASP 47 Cb 0.00 -0.91 0.61 0.00 -0.64 0.00 0.00 41.12 40.19 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 7.63 1.00 -0.25 2.24 0.00 -2.01 0.21 119.26 128.08 1xn8 h ALA 48 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xn8 h ALA 48 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xn8 h ALA 48 CO 1.05 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.45 1xn8 n GLU 49 N -2.31 2.05 -2.72 0.00 0.28 -1.26 -4.19 120.64 112.49 1xn8 n GLU 49 Ca -0.01 -1.10 -0.07 0.00 -0.16 0.00 0.00 57.16 55.82 1xn8 n GLU 49 Cb 0.06 -1.49 0.07 0.00 1.43 0.00 0.00 31.44 31.51 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 0.28 -2.36 -3.43 -1.84 9.36 0.74 -5.05 117.16 114.86 1xn8 n TYR 50 Ca 0.10 -1.55 -0.26 0.00 3.32 0.00 0.00 57.90 59.51 1xn8 n TYR 50 Cb 0.42 1.46 -0.09 0.00 -0.63 0.00 0.00 39.34 40.50 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 1.12 1.04 -2.48 2.97 5.41 -1.24 -4.63 119.36 121.54 1xn8 n ILE 51 Ca 0.05 -4.65 -0.41 0.00 1.00 0.00 0.00 62.75 58.74 1xn8 n ILE 51 Cb 0.68 -2.03 -0.04 0.00 -0.71 0.00 0.00 39.64 37.54 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 -1.70 4.54 -0.67 0.38 0.04 -1.26 -5.00 135.00 131.33 1xn8 s PRO 52 Ca 0.35 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1xn8 s PRO 52 Cb 0.11 -3.29 0.17 0.00 0.04 0.00 0.00 34.50 31.53 1xn8 s PRO 52 CO -0.08 -0.03 0.49 -0.11 0.04 0.00 0.00 177.00 177.31 1xn8 n LEU 53 N 2.80 2.69 -4.81 -3.56 7.94 -1.26 -5.04 117.00 115.76 1xn8 n LEU 53 Ca 0.04 -5.14 -0.30 0.00 -1.11 0.00 0.00 56.01 49.50 1xn8 n LEU 53 Cb 0.46 -0.61 0.07 0.00 0.53 0.00 0.00 43.42 43.87 1xn8 n LEU 53 CO 0.54 1.78 0.71 -2.16 -1.11 0.00 0.00 177.39 177.16 1xn8 s PRO 54 N -1.36 2.51 0.49 1.96 0.04 -1.26 -4.86 135.00 132.51 1xn8 s PRO 54 Ca 0.26 0.79 0.33 0.00 0.04 0.00 0.00 61.00 62.42 1xn8 s PRO 54 Cb -0.02 -1.95 1.73 0.00 0.04 0.00 0.00 34.50 34.29 1xn8 s PRO 54 CO -0.17 -1.36 2.00 1.49 0.04 0.00 0.00 177.00 179.01 1xn8 h GLU 55 N -0.90 0.00 0.15 4.56 4.81 -1.99 -2.14 114.58 119.07 1xn8 h GLU 55 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1xn8 h GLU 55 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xn8 h GLU 55 CO 0.58 0.00 -0.07 1.79 -0.73 0.00 0.00 179.01 180.58 1xn8 h THR 56 N 0.00 0.67 0.01 0.32 1.35 -1.91 -1.76 112.91 111.59 1xn8 h THR 56 Ca 0.00 -1.16 0.03 0.00 -0.55 0.00 0.00 66.41 64.72 1xn8 h THR 56 Cb 0.07 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 1xn8 h THR 56 CO 0.00 0.19 -0.20 0.58 -0.25 0.00 0.00 175.52 175.84 1xn8 h VAL 57 N -0.95 0.54 -0.62 6.82 2.07 -1.73 1.46 116.25 123.85 1xn8 h VAL 57 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1xn8 h VAL 57 Cb 0.47 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1xn8 h VAL 57 CO 0.03 0.00 0.22 0.03 0.02 0.00 0.00 177.57 177.88 1xn8 h ARG 58 N -0.32 0.39 0.04 1.57 3.08 -1.52 0.89 114.38 118.50 1xn8 h ARG 58 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xn8 h ARG 58 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xn8 h ARG 58 CO -0.17 0.26 -0.02 1.25 -1.07 0.00 0.00 179.97 180.21 1xn8 h LEU 59 N 0.40 -0.04 -0.88 3.04 5.85 -0.47 1.03 115.31 124.24 1xn8 h LEU 59 Ca 0.31 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1xn8 h LEU 59 Cb 0.40 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 1xn8 h LEU 59 CO -0.32 0.28 0.51 0.00 -0.34 0.00 0.00 178.44 178.57 1xn8 h ALA 60 N 0.57 1.29 -0.15 1.25 0.00 0.28 0.92 119.26 123.42 1xn8 h ALA 60 Ca -0.01 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1xn8 h ALA 60 Cb 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xn8 h ALA 60 CO 0.01 0.10 -0.76 1.25 0.00 0.00 0.00 179.25 179.85 1xn8 h LEU 61 N 0.82 0.86 -1.10 0.00 7.12 0.99 -0.20 115.31 123.79 1xn8 h LEU 61 Ca 0.44 -0.56 -0.03 0.00 0.13 0.00 0.00 57.88 57.86 1xn8 h LEU 61 Cb 0.45 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 1xn8 h LEU 61 CO -0.27 1.35 0.25 -0.07 -0.13 0.00 0.00 178.44 179.57 1xn8 h LEU 62 N 0.50 0.81 -0.06 2.25 3.38 0.30 1.32 115.31 123.80 1xn8 h LEU 62 Ca -0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1xn8 h LEU 62 Cb 1.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1xn8 h LEU 62 CO 0.15 0.72 -0.18 0.11 0.09 0.00 0.00 178.44 179.33 1xn8 h LYS 63 N 0.88 0.22 -0.32 1.13 1.57 0.88 -0.72 116.57 120.21 1xn8 h LYS 63 Ca 0.21 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1xn8 h LYS 63 Cb 0.16 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1xn8 h LYS 63 CO -0.02 0.79 0.13 -0.07 -0.57 0.00 0.00 179.45 179.71 1xn8 h LEU 64 N -0.30 0.44 -0.59 2.94 3.38 -0.69 0.38 115.31 120.87 1xn8 h LEU 64 Ca -0.01 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1xn8 h LEU 64 Cb 0.81 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1xn8 h LEU 64 CO 0.04 0.49 0.36 -1.28 0.09 0.00 0.00 178.44 178.14 1xn8 h SER 65 N 0.37 0.59 -0.38 -0.43 0.87 0.17 0.26 113.55 115.00 1xn8 h SER 65 Ca 0.11 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1xn8 h SER 65 Cb 0.18 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1xn8 h SER 65 CO -0.01 0.41 0.00 -0.61 -0.53 0.00 0.00 176.83 176.10 1xn8 h GLN 66 N 0.72 0.66 0.33 2.24 4.15 -0.80 0.46 115.11 122.87 1xn8 h GLN 66 Ca 0.24 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1xn8 h GLN 66 Cb 0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1xn8 h GLN 66 CO -0.10 0.76 -0.34 0.35 -1.93 0.00 0.00 178.83 177.58 1xn8 h PHE 67 N 0.48 -0.91 0.00 3.99 3.57 0.29 0.89 116.94 125.26 1xn8 h PHE 67 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1xn8 h PHE 67 Cb 0.47 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1xn8 h PHE 67 CO 0.04 -0.47 -0.00 1.88 -2.23 0.00 0.00 178.31 177.52 1xn8 h TYR 68 N -0.69 -0.00 -0.26 0.41 0.05 -0.96 -2.18 116.97 113.34 1xn8 h TYR 68 Ca -0.02 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.84 1xn8 h TYR 68 Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1xn8 h TYR 68 CO -0.20 0.31 0.19 0.00 -1.05 0.00 0.00 178.16 177.41 1xn8 h ALA 69 N 0.68 2.20 0.20 3.88 0.00 0.01 1.14 119.26 127.37 1xn8 h ALA 69 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xn8 h ALA 69 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xn8 h ALA 69 CO 0.00 -0.32 -0.09 1.25 0.00 0.00 0.00 179.25 180.08 1xn8 h LEU 70 N 0.00 -0.22 -0.53 0.00 5.85 0.12 -2.98 115.31 117.54 1xn8 h LEU 70 Ca 0.12 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1xn8 h LEU 70 Cb 0.50 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1xn8 h LEU 70 CO -0.00 -0.12 0.30 0.16 -0.34 0.00 0.00 178.44 178.44 1xn8 h ILE 71 N -0.35 1.01 -1.79 4.05 3.07 -1.08 -0.23 117.51 122.21 1xn8 h ILE 71 Ca -0.03 -0.20 0.53 0.00 1.55 0.00 0.00 64.86 66.71 1xn8 h ILE 71 Cb 0.20 0.37 -0.09 0.00 -0.27 0.00 0.00 36.82 37.04 1xn8 h ILE 71 CO 0.04 0.11 1.27 0.78 -1.05 0.00 0.00 178.15 179.30 1xn8 h ASN 72 N 0.59 0.04 0.00 2.16 2.35 0.13 -3.34 115.58 117.51 1xn8 h ASN 72 Ca 0.22 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1xn8 h ASN 72 Cb 0.07 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1xn8 h ASN 72 CO -0.12 -0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.23 1xn8 n GLY 73 N -1.84 0.44 1.24 2.83 0.00 -0.16 -5.00 105.19 102.70 1xn8 n GLY 73 Ca 0.41 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 -6.64 0.00 1.61 -0.08 -0.82 -4.04 116.55 106.58 1xn8 n ASP 74 Ca 0.00 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 1xn8 n ASP 74 Cb 0.00 -3.99 0.00 0.00 2.34 0.00 0.00 41.12 39.47 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 -3.79 0.00 -2.72 -0.67 4.71 -1.26 -4.45 120.64 112.45 1xn8 n GLU 75 Ca -0.03 0.78 -0.08 0.00 -0.01 0.00 0.00 57.16 57.82 1xn8 n GLU 75 Cb 0.64 -1.25 0.09 0.00 -1.01 0.00 0.00 31.44 29.90 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1xn8 n SER 76 N -2.28 -2.26 -4.75 1.62 7.64 -1.26 -5.15 113.62 107.18 1xn8 n SER 76 Ca 0.00 -3.37 -0.33 0.00 1.01 0.00 0.00 58.87 56.18 1xn8 n SER 76 Cb 0.00 1.80 0.07 0.00 -1.01 0.00 0.00 64.21 65.07 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 0.30 2.90 0.00 0.44 1.01 -1.26 -5.05 121.20 119.54 1xn8 s ILE 77 Ca 0.23 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1xn8 s ILE 77 Cb 0.28 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1xn8 s ILE 77 CO -0.10 -0.27 -0.05 -0.63 0.00 0.00 0.00 174.94 173.89 1xn8 s ILE 78 N -2.30 0.38 -0.42 2.92 1.01 -1.26 -5.00 121.20 116.52 1xn8 s ILE 78 Ca 0.69 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 61.06 1xn8 s ILE 78 Cb -0.23 -0.35 0.50 0.00 0.01 0.00 0.00 42.46 42.39 1xn8 s ILE 78 CO 0.45 0.01 1.43 0.29 0.00 0.00 0.00 174.94 177.12 1xn8 n LYS 79 N 2.71 2.86 0.00 2.79 4.01 -1.26 -2.48 118.16 126.79 1xn8 n LYS 79 Ca -0.14 -2.02 0.00 0.00 -0.51 0.00 0.00 58.31 55.64 1xn8 n LYS 79 Cb 0.58 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xn8 n GLY 80 N 0.02 0.73 2.96 0.72 0.00 -1.26 -4.71 105.19 103.65 1xn8 n GLY 80 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1xn8 n GLY 80 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xn8 s TYR 81 N 0.00 -1.59 -0.28 1.61 1.13 -1.26 -4.91 117.35 112.05 1xn8 s TYR 81 Ca 0.00 -0.15 0.00 0.00 -1.41 0.00 0.00 57.07 55.51 1xn8 s TYR 81 Cb 0.00 0.30 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 1xn8 s TYR 81 CO 0.00 -1.17 0.00 2.41 -2.51 0.00 0.00 175.55 174.28 1xn8 n THR 82 N 3.63 -0.02 -3.97 -3.49 -1.04 -1.26 -5.03 114.28 103.09 1xn8 n THR 82 Ca 0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.94 1xn8 n THR 82 Cb 0.57 -0.72 -0.04 0.00 -1.82 0.00 0.00 70.33 68.32 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 -2.11 3.93 0.00 12.58 2.01 -1.26 -5.14 115.64 125.65 1xn8 s THR 83 Ca 0.00 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.59 1xn8 s THR 83 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1xn8 s THR 83 CO 0.00 -0.26 0.00 -0.62 -0.69 0.00 0.00 174.62 173.05 1xn8 n GLU 84 N -1.27 2.22 -1.77 4.92 4.71 -1.26 -4.53 120.64 123.66 1xn8 n GLU 84 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.68 1xn8 n GLU 84 Cb 0.59 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.99 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 1.28 4.15 0.00 3.49 3.01 -1.26 -4.81 119.74 125.61 1xn8 s LYS 85 Ca 0.00 2.49 0.20 0.00 -1.01 0.00 0.00 55.97 57.66 1xn8 s LYS 85 Cb 0.00 -3.99 0.36 0.00 -1.01 0.00 0.00 37.83 33.19 1xn8 s LYS 85 CO 0.00 -0.90 1.32 -0.89 0.51 0.00 0.00 175.35 175.39 1xn8 n ILE 86 N 5.35 0.49 -4.13 2.17 5.41 -1.26 -4.98 119.36 122.41 1xn8 n ILE 86 Ca 0.19 -0.75 -0.43 0.00 1.00 0.00 0.00 62.75 62.76 1xn8 n ILE 86 Cb 0.41 0.98 -0.01 0.00 -0.71 0.00 0.00 39.64 40.31 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 1.28 -0.67 0.00 7.39 0.00 -1.26 -4.86 105.19 107.07 1xn8 n GLY 87 Ca 0.17 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1xn8 n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn8 n ASP 88 N -2.32 0.00 -4.20 1.61 9.92 -1.26 -5.08 116.55 115.21 1xn8 n ASP 88 Ca -0.16 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.68 1xn8 n ASP 88 Cb 0.59 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.94 1xn8 n ASP 88 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1xn8 n TYR 89 N 0.06 0.65 -1.03 1.24 4.01 -1.26 -4.64 117.16 116.18 1xn8 n TYR 89 Ca 0.00 0.43 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1xn8 n TYR 89 Cb 0.00 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 36.80 1xn8 n TYR 89 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1xn8 n SER 90 N 9.34 0.79 -4.03 7.72 3.41 -1.26 -5.03 113.62 124.56 1xn8 n SER 90 Ca 0.60 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.87 1xn8 n SER 90 Cb 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1xn8 n SER 90 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xn8 n TYR 91 N 0.00 -1.53 -1.69 7.33 4.01 -1.23 -4.29 117.16 119.76 1xn8 n TYR 91 Ca 0.00 0.47 -0.44 0.00 -0.16 0.00 0.00 57.90 57.77 1xn8 n TYR 91 Cb 0.00 -3.19 -0.03 0.00 -0.31 0.00 0.00 39.34 35.81 1xn8 n TYR 91 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1xn8 n THR 92 N -4.59 0.17 -2.16 -0.72 -1.04 -1.03 -4.26 114.28 100.65 1xn8 n THR 92 Ca -0.22 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.05 61.48 1xn8 n THR 92 Cb 0.64 -1.73 0.07 0.00 -1.82 0.00 0.00 70.33 67.49 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 0.81 2.78 0.61 -4.42 1.43 -0.35 -4.02 118.68 115.51 1xn8 s LEU 93 Ca 0.75 0.51 0.33 0.00 -1.03 0.00 0.00 54.13 54.69 1xn8 s LEU 93 Cb -0.60 -3.14 1.95 0.00 0.03 0.00 0.00 46.19 44.43 1xn8 s LEU 93 CO 0.38 -1.63 2.28 1.23 0.23 0.00 0.00 176.35 178.84 1xn8 h GLY 94 N -0.65 0.00 -2.96 -3.19 0.00 -1.93 0.23 103.07 94.56 1xn8 h GLY 94 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1xn8 h GLY 94 CO 0.61 0.00 0.12 1.22 0.00 0.00 0.00 176.54 178.49 1xn8 n ASP 95 N -3.70 4.15 -2.97 0.19 8.00 -1.26 -4.86 116.55 116.10 1xn8 n ASP 95 Ca -0.03 -2.78 -0.21 0.00 0.71 0.00 0.00 54.79 52.48 1xn8 n ASP 95 Cb 0.08 -0.66 0.01 0.00 -0.02 0.00 0.00 41.12 40.53 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 0.16 -0.50 3.93 0.44 0.00 0.82 -4.95 105.19 105.08 1xn8 n GLY 96 Ca 0.25 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 1xn8 n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xn8 s SER 97 N -2.52 6.21 -0.78 1.61 0.15 -1.24 -4.80 113.70 112.32 1xn8 s SER 97 Ca 0.25 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.47 1xn8 s SER 97 Cb -0.12 -2.00 0.29 0.00 -1.71 0.00 0.00 66.02 62.48 1xn8 s SER 97 CO 0.31 -0.44 1.12 -1.54 1.20 0.00 0.00 173.24 173.89 1xn8 n SER 98 N -1.96 5.07 -4.53 5.45 3.41 -1.26 -1.21 113.62 118.58 1xn8 n SER 98 Ca -0.02 -3.53 -0.47 0.00 -0.26 0.00 0.00 58.87 54.58 1xn8 n SER 98 Cb 0.56 -0.85 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.56 2.75 -4.90 1.04 7.94 -1.26 -4.88 117.00 118.25 1xn8 n LEU 99 Ca 0.32 0.35 -0.24 0.00 -1.11 0.00 0.00 56.01 55.33 1xn8 n LEU 99 Cb 0.37 -1.41 -0.01 0.00 0.53 0.00 0.00 43.42 42.90 1xn8 n LEU 99 CO 0.48 -0.67 0.06 0.00 -1.11 0.00 0.00 177.39 176.16 1xn8 s GLN 100 N 6.14 2.34 0.70 1.96 -2.07 -1.26 -4.75 119.66 122.72 1xn8 s GLN 100 Ca 1.04 -1.83 -0.17 0.00 -1.82 0.00 0.00 55.36 52.58 1xn8 s GLN 100 Cb -0.60 -2.23 -0.11 0.00 -1.09 0.00 0.00 33.01 28.97 1xn8 s GLN 100 CO 0.43 -0.50 -0.08 1.63 -1.32 0.00 0.00 175.29 175.45 1xn8 n LYS 101 N -1.73 0.10 -1.07 9.60 5.02 -1.26 -4.95 118.16 123.87 1xn8 n LYS 101 Ca 0.02 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.14 1xn8 n LYS 101 Cb 0.63 -1.27 0.16 0.00 -0.02 0.00 0.00 35.03 34.54 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 1.03 -1.73 -3.06 1.97 -0.04 -1.26 -4.99 135.00 126.93 1xn8 n PRO 102 Ca 0.06 -1.37 -0.36 0.00 -0.04 0.00 0.00 63.50 61.79 1xn8 n PRO 102 Cb 0.50 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 1xn8 n PRO 102 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xn8 n ASP 103 N -3.98 5.54 -1.31 3.54 8.00 -1.26 -4.70 116.55 122.39 1xn8 n ASP 103 Ca 0.11 -3.51 0.08 0.00 0.71 0.00 0.00 54.79 52.18 1xn8 n ASP 103 Cb 0.42 -0.98 0.32 0.00 -0.02 0.00 0.00 41.12 40.86 1xn8 n ASP 103 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1xn8 n VAL 104 N 0.72 2.35 -0.24 2.53 0.24 -1.26 -4.53 118.33 118.14 1xn8 n VAL 104 Ca 0.31 -1.60 -0.07 0.00 -2.04 0.00 0.00 64.34 60.95 1xn8 n VAL 104 Cb 0.35 -0.18 0.04 0.00 -1.47 0.00 0.00 33.84 32.58 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 2.82 1.00 0.00 6.34 5.03 -1.99 -1.64 116.97 128.53 1xn8 h TYR 105 Ca 0.00 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.18 1xn8 h TYR 105 Cb 1.60 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 1xn8 h TYR 105 CO 0.72 0.77 -0.33 0.00 -1.32 0.00 0.00 178.16 178.01 1xn8 h ALA 106 N 1.13 1.25 -0.48 1.82 0.00 -1.97 0.84 119.26 121.85 1xn8 h ALA 106 Ca 0.23 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1xn8 h ALA 106 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xn8 h ALA 106 CO -0.02 0.41 -0.13 -0.07 0.00 0.00 0.00 179.25 179.44 1xn8 h LEU 107 N 0.00 0.90 0.00 0.00 3.38 -1.63 -2.87 115.31 115.09 1xn8 h LEU 107 Ca -0.00 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.48 1xn8 h LEU 107 Cb 0.67 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1xn8 h LEU 107 CO 0.04 1.03 -1.29 0.16 0.09 0.00 0.00 178.44 178.48 1xn8 h ILE 108 N 0.80 0.79 -0.06 1.22 3.07 -0.86 -3.28 117.51 119.19 1xn8 h ILE 108 Ca 0.13 -2.38 0.02 0.00 1.55 0.00 0.00 64.86 64.17 1xn8 h ILE 108 Cb 0.66 2.29 -0.00 0.00 -0.27 0.00 0.00 36.82 39.49 1xn8 h ILE 108 CO 0.05 0.45 0.34 0.50 -1.05 0.00 0.00 178.15 178.44 1xn8 h LYS 109 N 0.00 0.00 -0.33 0.16 3.64 0.92 1.00 116.57 121.96 1xn8 h LYS 109 Ca -0.15 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.09 1xn8 h LYS 109 Cb 1.68 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1xn8 h LYS 109 CO 0.07 0.00 -0.36 -0.44 -2.27 0.00 0.00 179.45 176.44 1xn8 h ASP 110 N 0.00 0.89 -0.67 4.20 5.19 -1.60 -3.29 116.42 121.13 1xn8 h ASP 110 Ca 0.03 -0.48 -0.46 0.00 -0.62 0.00 0.00 57.03 55.50 1xn8 h ASP 110 Cb 0.71 -0.25 -0.42 0.00 0.18 0.00 0.00 39.33 39.55 1xn8 h ASP 110 CO -0.00 1.19 -0.91 0.00 -3.12 0.00 0.00 179.24 176.40 1xn8 n TYR 111 N -4.14 2.32 -2.57 4.55 4.11 0.20 -5.07 117.16 116.56 1xn8 n TYR 111 Ca -0.03 -2.22 -0.33 0.00 -0.00 0.00 0.00 57.90 55.33 1xn8 n TYR 111 Cb 0.52 -0.30 -0.05 0.00 -0.00 0.00 0.00 39.34 39.51 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1xn8 s VAL 112 N -4.38 4.43 -0.95 -3.48 1.01 0.29 -4.83 120.40 112.50 1xn8 s VAL 112 Ca 0.44 1.32 -0.28 0.00 0.00 0.00 0.00 61.98 63.46 1xn8 s VAL 112 Cb 0.38 -3.65 -0.21 0.00 0.00 0.00 0.00 36.38 32.90 1xn8 s VAL 112 CO 0.01 -0.52 2.52 1.17 0.00 0.00 0.00 175.10 178.29 1xn8 n LYS 113 N -1.18 0.00 -1.51 2.72 4.81 -1.24 -4.85 118.16 116.91 1xn8 n LYS 113 Ca 0.07 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.21 1xn8 n LYS 113 Cb 0.54 -1.39 0.22 0.00 0.02 0.00 0.00 35.03 34.42 1xn8 n LYS 113 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1xn8 s PRO 114 N 8.40 -0.46 -0.86 1.64 0.04 -1.26 -4.99 135.00 137.51 1xn8 s PRO 114 Ca 1.28 -0.31 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1xn8 s PRO 114 Cb -1.17 -1.71 0.30 0.00 0.04 0.00 0.00 34.50 31.96 1xn8 s PRO 114 CO 0.47 -3.16 1.23 0.00 0.04 0.00 0.00 177.00 175.58 1xn8 n ALA 115 N -4.32 4.91 -2.36 8.56 0.00 -1.26 -5.01 120.51 121.03 1xn8 n ALA 115 Ca 0.15 -4.76 -0.30 0.00 0.00 0.00 0.00 53.44 48.53 1xn8 n ALA 115 Cb 0.59 -1.64 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.18 3.27 0.20 0.00 -1.08 -1.26 -5.14 116.67 110.47 1xn8 s ASP 116 Ca 0.38 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1xn8 s ASP 116 Cb 0.13 -0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.23 1xn8 s ASP 116 CO 0.00 0.27 0.00 -0.81 0.52 0.00 0.00 175.17 175.15 1xn8 n PRO 117 N 1.89 0.70 -1.02 4.34 -0.04 -1.26 -4.89 135.00 134.73 1xn8 n PRO 117 Ca -0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 1xn8 n PRO 117 Cb 0.52 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.59 6.71 0.04 3.54 2.03 -1.26 -4.08 116.55 122.94 1xn8 n ASP 118 Ca 0.00 -3.21 0.12 0.00 0.52 0.00 0.00 54.79 52.21 1xn8 n ASP 118 Cb 0.00 -1.05 0.07 0.00 -0.72 0.00 0.00 41.12 39.42 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 0.14 0.64 -4.62 -2.67 -0.00 -1.26 -4.92 117.00 104.31 1xn8 n LEU 119 Ca 0.37 0.09 -0.28 0.00 -0.00 0.00 0.00 56.01 56.19 1xn8 n LEU 119 Cb 0.59 -0.12 0.20 0.00 -0.00 0.00 0.00 43.42 44.09 1xn8 n LEU 119 CO 0.46 -0.01 0.60 -1.61 -0.00 0.00 0.00 177.39 176.83 1xn8 s GLU 120 N -3.20 -0.04 3.89 1.47 0.41 -1.26 -4.69 118.70 115.29 1xn8 s GLU 120 Ca 0.04 0.57 0.00 0.00 -0.41 0.00 0.00 54.97 55.17 1xn8 s GLU 120 Cb 0.14 -1.68 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1xn8 s GLU 120 CO 0.77 -3.06 0.00 0.41 -0.49 0.00 0.00 175.26 172.89 1xn8 n GLY 121 N -0.57 2.97 1.35 -1.39 0.00 -1.26 -4.93 105.19 101.36 1xn8 n GLY 121 Ca 0.04 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.14 -0.94 -0.61 5.41 -1.26 -4.67 119.36 116.15 1xn8 n ILE 122 Ca 0.00 0.90 0.00 0.00 1.00 0.00 0.00 62.75 64.65 1xn8 n ILE 122 Cb 0.00 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1xn8 n ILE 122 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xn8 n GLU 123 N -3.85 -1.19 -0.11 0.38 2.13 -1.26 -4.78 120.64 111.96 1xn8 n GLU 123 Ca -0.07 0.30 -0.17 0.00 0.66 0.00 0.00 57.16 57.89 1xn8 n GLU 123 Cb 0.55 -4.36 -0.06 0.00 0.27 0.00 0.00 31.44 27.84 1xn8 n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xn8 n ALA 124 N 1.00 0.92 0.17 4.31 0.00 -1.26 -3.58 120.51 122.07 1xn8 n ALA 124 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 1xn8 n ALA 124 Cb 0.30 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.43 -0.30 0.00 3.11 -1.98 -2.53 116.57 113.44 1xn8 h LYS 125 Ca -0.27 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 57.67 1xn8 h LYS 125 Cb 1.17 0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 32.43 1xn8 h LYS 125 CO -0.16 -0.29 -0.13 0.28 -2.81 0.00 0.00 179.45 176.35 1xn8 h VAL 126 N -0.44 0.59 -1.35 2.00 2.07 -1.96 1.26 116.25 118.41 1xn8 h VAL 126 Ca -0.02 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.89 1xn8 h VAL 126 Cb 0.38 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1xn8 h VAL 126 CO 0.01 0.00 0.99 0.03 0.02 0.00 0.00 177.57 178.62 1xn8 h ARG 127 N -0.08 0.00 0.02 1.57 3.08 -1.53 0.35 114.38 117.79 1xn8 h ARG 127 Ca 0.15 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.84 1xn8 h ARG 127 Cb 0.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1xn8 h ARG 127 CO -0.35 0.00 -2.01 -1.33 -1.07 0.00 0.00 179.97 175.21 1xn8 n MET 128 N -4.08 0.61 -0.31 0.04 2.81 0.91 -3.46 117.12 113.63 1xn8 n MET 128 Ca 0.30 0.36 0.35 0.00 -1.81 0.00 0.00 57.70 56.90 1xn8 n MET 128 Cb 1.43 -1.62 0.72 0.00 -0.71 0.00 0.00 33.22 33.05 1xn8 n MET 128 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1xn8 h ARG 129 N -0.72 0.00 0.04 0.03 1.12 0.31 1.43 114.38 116.59 1xn8 h ARG 129 Ca -0.53 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.05 1xn8 h ARG 129 Cb 1.60 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.53 1xn8 h ARG 129 CO -0.24 0.00 -1.59 1.03 -3.11 0.00 0.00 179.97 176.06 1xn8 h SER 130 N 0.00 0.13 0.00 -3.80 0.87 -1.18 -3.50 113.55 106.07 1xn8 h SER 130 Ca 0.56 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1xn8 h SER 130 Cb 2.43 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 64.34 1xn8 h SER 130 CO -0.01 1.19 0.00 -0.38 -0.53 0.00 0.00 176.83 177.11