#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 0.00 4.03 7.94 -1.26 -5.02 117.00 122.69 1xn8 n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xn8 n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xn8 n LEU 2 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.17 1xn8 n LEU 3 N 0.00 0.00 -4.78 -1.96 0.00 -1.26 -5.11 117.00 103.88 1xn8 n LEU 3 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1xn8 n LEU 3 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.43 1xn8 n LEU 3 CO 0.00 0.00 0.74 0.27 0.00 0.00 0.00 177.39 178.40 1xn8 s ILE 4 N -0.85 3.45 0.31 1.96 -4.36 -1.26 -5.05 121.20 115.40 1xn8 s ILE 4 Ca 0.00 0.77 0.08 0.00 -0.26 0.00 0.00 60.65 61.23 1xn8 s ILE 4 Cb 0.00 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.40 1xn8 s ILE 4 CO 0.00 -0.33 0.23 0.42 0.24 0.00 0.00 174.94 175.50 1xn8 s THR 5 N -2.17 3.65 -0.24 8.37 -4.23 -1.26 -4.93 115.64 114.82 1xn8 s THR 5 Ca 0.68 -1.46 0.28 0.00 -1.18 0.00 0.00 61.69 60.00 1xn8 s THR 5 Cb -0.20 -3.18 0.35 0.00 1.34 0.00 0.00 72.50 70.81 1xn8 s THR 5 CO 0.33 -0.23 1.79 1.55 -0.54 0.00 0.00 174.62 177.53 1xn8 h PRO 6 N 1.39 0.00 0.02 3.99 0.13 -1.92 -2.68 132.00 132.93 1xn8 h PRO 6 Ca -0.45 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 1xn8 h PRO 6 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1xn8 h PRO 6 CO 0.60 0.00 -0.97 -0.44 -0.23 0.00 0.00 178.00 176.96 1xn8 h ASP 7 N 0.00 0.14 0.76 1.44 5.19 -1.95 -3.10 116.42 118.90 1xn8 h ASP 7 Ca 0.00 -0.13 -0.19 0.00 -0.62 0.00 0.00 57.03 56.10 1xn8 h ASP 7 Cb 0.72 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1xn8 h ASP 7 CO 0.00 1.02 -0.87 -0.33 -3.12 0.00 0.00 179.24 175.95 1xn8 h GLU 8 N 0.04 0.07 0.08 3.56 5.08 -1.92 -2.04 114.58 119.45 1xn8 h GLU 8 Ca -0.04 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xn8 h GLU 8 Cb 1.66 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1xn8 h GLU 8 CO 0.14 0.89 -0.04 1.25 -1.00 0.00 0.00 179.01 180.24 1xn8 h LEU 9 N 0.03 -0.10 -1.11 1.33 5.85 -1.47 -2.22 115.31 117.62 1xn8 h LEU 9 Ca -0.02 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1xn8 h LEU 9 Cb 1.51 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1xn8 h LEU 9 CO 0.12 -0.01 -0.35 0.07 -0.34 0.00 0.00 178.44 177.93 1xn8 h LYS 10 N -0.18 0.17 -0.96 1.25 2.10 -1.58 0.27 116.57 117.64 1xn8 h LYS 10 Ca -0.01 -0.07 0.15 0.00 -2.00 0.00 0.00 60.65 58.72 1xn8 h LYS 10 Cb 0.15 -0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 31.37 1xn8 h LYS 10 CO 0.02 0.50 0.57 1.03 -2.00 0.00 0.00 179.45 179.57 1xn8 h SER 11 N 0.15 0.77 0.03 7.07 0.87 -0.78 -2.94 113.55 118.72 1xn8 h SER 11 Ca 0.02 0.08 -0.30 0.00 -1.23 0.00 0.00 61.79 60.36 1xn8 h SER 11 Cb 0.70 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1xn8 h SER 11 CO 0.05 0.34 -1.64 0.00 -0.53 0.00 0.00 176.83 175.06 1xn8 n TYR 12 N -4.74 0.94 -1.73 2.24 4.19 -0.95 -4.93 117.16 112.17 1xn8 n TYR 12 Ca 0.20 0.33 -0.39 0.00 3.31 0.00 0.00 57.90 61.35 1xn8 n TYR 12 Cb 0.45 -1.10 0.04 0.00 0.49 0.00 0.00 39.34 39.21 1xn8 n TYR 12 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1xn8 n SER 13 N -4.13 2.67 -0.69 2.98 2.88 0.93 -4.92 113.62 113.34 1xn8 n SER 13 Ca -0.35 1.01 0.04 0.00 -1.33 0.00 0.00 58.87 58.24 1xn8 n SER 13 Cb 0.81 -1.56 0.20 0.00 -0.75 0.00 0.00 64.21 62.91 1xn8 n SER 13 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1xn8 n VAL 14 N -0.83 2.25 -3.76 2.46 0.24 -1.26 -4.74 118.33 112.68 1xn8 n VAL 14 Ca 0.09 -3.25 -0.37 0.00 -2.04 0.00 0.00 64.34 58.77 1xn8 n VAL 14 Cb 0.44 -0.28 -0.13 0.00 -1.47 0.00 0.00 33.84 32.40 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 -3.26 3.11 0.55 6.34 0.08 -1.26 -4.96 117.98 118.59 1xn8 s PHE 15 Ca 0.39 -0.78 0.29 0.00 0.12 0.00 0.00 56.93 56.95 1xn8 s PHE 15 Cb 0.37 -2.24 1.46 0.00 -0.57 0.00 0.00 43.02 42.04 1xn8 s PHE 15 CO -0.06 -0.50 1.92 0.93 -0.10 0.00 0.00 175.22 177.40 1xn8 h GLU 16 N 8.23 0.00 -0.62 0.44 3.07 -1.98 0.34 114.58 124.07 1xn8 h GLU 16 Ca -0.34 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.48 1xn8 h GLU 16 Cb 1.15 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 1xn8 h GLU 16 CO 0.60 0.00 0.26 0.77 -1.40 0.00 0.00 179.01 179.24 1xn8 h SER 17 N 0.00 0.84 -0.22 1.42 0.02 -1.93 0.84 113.55 114.51 1xn8 h SER 17 Ca 0.34 -0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 60.94 1xn8 h SER 17 Cb 1.43 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1xn8 h SER 17 CO -0.00 0.76 -0.61 0.58 -1.14 0.00 0.00 176.83 176.42 1xn8 h VAL 18 N 0.85 1.28 -0.26 2.27 2.07 -0.65 -0.55 116.25 121.26 1xn8 h VAL 18 Ca 0.21 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1xn8 h VAL 18 Cb 0.18 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1xn8 h VAL 18 CO -0.02 0.58 0.08 0.11 0.02 0.00 0.00 177.57 178.34 1xn8 h LYS 19 N 0.55 0.40 0.46 1.57 1.57 -0.83 -3.14 116.57 117.15 1xn8 h LYS 19 Ca -0.01 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1xn8 h LYS 19 Cb 1.23 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1xn8 h LYS 19 CO 0.13 0.47 -0.22 1.79 -0.57 0.00 0.00 179.45 181.05 1xn8 h THR 20 N 0.26 0.55 -1.46 -0.16 1.35 0.71 -3.44 112.91 110.72 1xn8 h THR 20 Ca 0.08 -0.09 -0.62 0.00 -0.55 0.00 0.00 66.41 65.24 1xn8 h THR 20 Cb 0.23 0.59 0.14 0.00 -1.73 0.00 0.00 68.15 67.39 1xn8 h THR 20 CO -0.00 0.02 -0.82 -1.14 -0.25 0.00 0.00 175.52 173.33 1xn8 n ARG 21 N -5.33 0.00 -1.69 4.72 0.63 -0.22 -4.90 116.66 109.87 1xn8 n ARG 21 Ca -0.11 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.50 1xn8 n ARG 21 Cb 0.27 -0.97 0.04 0.00 0.45 0.00 0.00 32.46 32.25 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 -0.97 3.05 0.10 -0.14 0.04 -1.26 -4.88 135.00 130.94 1xn8 s PRO 22 Ca 0.59 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 1xn8 s PRO 22 Cb -0.69 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.78 1xn8 s PRO 22 CO 0.59 -1.02 1.61 0.38 0.04 0.00 0.00 177.00 178.61 1xn8 h ASP 23 N -0.44 0.40 -0.52 6.66 2.03 -1.94 0.16 116.42 122.78 1xn8 h ASP 23 Ca -0.44 -0.21 0.10 0.00 -0.73 0.00 0.00 57.03 55.75 1xn8 h ASP 23 Cb 1.21 -0.11 -0.08 0.00 -0.83 0.00 0.00 39.33 39.52 1xn8 h ASP 23 CO 0.57 0.50 0.03 -0.08 -1.03 0.00 0.00 179.24 179.24 1xn8 h GLU 24 N 0.28 0.15 -0.36 4.15 4.81 -1.99 0.43 114.58 122.04 1xn8 h GLU 24 Ca 0.09 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1xn8 h GLU 24 Cb 0.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1xn8 h GLU 24 CO -0.00 0.10 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.27 1xn8 h LEU 25 N 0.15 0.66 -0.80 1.64 3.38 -1.90 -2.49 115.31 115.95 1xn8 h LEU 25 Ca 0.27 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.02 1xn8 h LEU 25 Cb 0.40 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1xn8 h LEU 25 CO -0.41 0.83 0.42 -0.07 0.09 0.00 0.00 178.44 179.30 1xn8 h LEU 26 N 0.47 0.56 0.32 1.67 3.38 0.81 0.16 115.31 122.68 1xn8 h LEU 26 Ca 0.10 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xn8 h LEU 26 Cb 0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1xn8 h LEU 26 CO 0.03 0.30 -0.26 0.11 0.09 0.00 0.00 178.44 178.70 1xn8 h LYS 27 N 0.68 -0.57 -0.80 1.13 1.57 0.06 1.35 116.57 119.99 1xn8 h LYS 27 Ca 0.40 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.35 1xn8 h LYS 27 Cb 0.45 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1xn8 h LYS 27 CO -0.29 -0.38 0.52 1.96 -0.57 0.00 0.00 179.45 180.69 1xn8 h GLN 28 N -0.60 0.58 0.04 3.15 4.20 -0.85 0.46 115.11 122.10 1xn8 h GLN 28 Ca -0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xn8 h GLN 28 Cb 0.53 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1xn8 h GLN 28 CO -0.02 0.39 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.07 1xn8 h ASP 29 N 0.60 -0.04 -0.26 1.46 3.32 0.25 -0.94 116.42 120.80 1xn8 h ASP 29 Ca 0.39 -0.58 0.06 0.00 0.02 0.00 0.00 57.03 56.92 1xn8 h ASP 29 Cb 0.66 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 1xn8 h ASP 29 CO -0.15 0.58 -0.12 0.40 -1.72 0.00 0.00 179.24 178.23 1xn8 h ILE 30 N -0.70 0.61 -0.22 0.35 2.04 0.27 0.19 117.51 120.04 1xn8 h ILE 30 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1xn8 h ILE 30 Cb 0.62 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1xn8 h ILE 30 CO 0.01 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 178.17 1xn8 h LEU 31 N -0.09 0.27 -0.92 1.44 3.38 -0.17 -0.09 115.31 119.14 1xn8 h LEU 31 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xn8 h LEU 31 Cb 0.29 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1xn8 h LEU 31 CO -0.32 0.26 0.58 -0.33 0.09 0.00 0.00 178.44 178.72 1xn8 h GLU 32 N 0.31 1.23 0.00 1.13 5.08 0.76 -1.52 114.58 121.57 1xn8 h GLU 32 Ca 0.08 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1xn8 h GLU 32 Cb 0.08 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1xn8 h GLU 32 CO -0.01 0.84 -0.84 0.00 -1.00 0.00 0.00 179.01 178.00 1xn8 h ALA 33 N 1.32 0.62 -0.77 3.43 0.00 -0.08 -3.14 119.26 120.65 1xn8 h ALA 33 Ca 0.33 -0.76 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1xn8 h ALA 33 Cb -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1xn8 h ALA 33 CO -0.07 1.04 0.51 1.15 0.00 0.00 0.00 179.25 181.88 1xn8 h THR 34 N 0.00 1.12 -0.00 0.00 2.02 -0.08 0.53 112.91 116.50 1xn8 h THR 34 Ca -0.01 -0.32 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 1xn8 h THR 34 Cb 1.48 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1xn8 h THR 34 CO 0.11 0.17 -0.53 0.00 0.37 0.00 0.00 175.52 175.64 1xn8 h ALA 35 N 1.55 1.11 0.34 6.16 0.00 -1.32 0.70 119.26 127.81 1xn8 h ALA 35 Ca 0.31 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xn8 h ALA 35 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xn8 h ALA 35 CO -0.09 0.67 -0.16 0.22 0.00 0.00 0.00 179.25 179.89 1xn8 h ASP 36 N 0.01 -0.39 -0.57 0.00 1.82 -0.94 0.20 116.42 116.54 1xn8 h ASP 36 Ca -0.00 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 1xn8 h ASP 36 Cb 0.94 0.10 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 1xn8 h ASP 36 CO 0.07 -0.03 0.30 0.40 -1.61 0.00 0.00 179.24 178.38 1xn8 h ILE 37 N -0.79 1.19 -0.95 2.25 2.04 -1.13 -0.88 117.51 119.25 1xn8 h ILE 37 Ca -0.05 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1xn8 h ILE 37 Cb 0.52 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1xn8 h ILE 37 CO 0.08 0.21 0.62 0.40 0.00 0.00 0.00 178.15 179.46 1xn8 h ILE 38 N 0.77 1.15 0.00 -0.67 2.04 -0.82 0.23 117.51 120.21 1xn8 h ILE 38 Ca 0.20 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1xn8 h ILE 38 Cb 0.06 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1xn8 h ILE 38 CO -0.03 0.22 -0.22 -0.07 0.00 0.00 0.00 178.15 178.05 1xn8 h LEU 39 N 1.19 0.00 -0.01 1.44 3.38 0.15 0.95 115.31 122.41 1xn8 h LEU 39 Ca 0.38 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 1xn8 h LEU 39 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xn8 h LEU 39 CO -0.13 0.22 -0.30 0.11 0.09 0.00 0.00 178.44 178.43 1xn8 h LYS 40 N 0.00 0.22 -0.03 1.13 1.57 0.66 -3.10 116.57 117.03 1xn8 h LYS 40 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1xn8 h LYS 40 Cb 0.50 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1xn8 h LYS 40 CO 0.03 0.94 0.00 1.33 -0.57 0.00 0.00 179.45 181.18 1xn8 n VAL 41 N -4.46 0.03 -4.41 0.50 0.24 0.50 -4.70 118.33 106.03 1xn8 n VAL 41 Ca -0.10 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.67 1xn8 n VAL 41 Cb 0.52 -0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 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 1.04 -0.41 3.63 7.63 0.00 0.32 -4.11 105.19 113.30 1xn8 n GLY 42 Ca 0.19 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.31 -0.21 0.51 1.61 -3.43 -0.59 -5.01 115.29 104.86 1xn8 s HIS 43 Ca 0.77 0.46 0.03 0.00 -0.80 0.00 0.00 55.06 55.52 1xn8 s HIS 43 Cb -0.44 0.45 0.03 0.00 -1.43 0.00 0.00 32.58 31.20 1xn8 s HIS 43 CO 0.99 -0.13 0.28 -0.40 -2.00 0.00 0.00 174.74 173.48 1xn8 n ASP 44 N 1.38 2.85 -4.00 7.38 5.68 -1.26 -4.62 116.55 123.96 1xn8 n ASP 44 Ca -0.09 -2.88 -0.32 0.00 -0.50 0.00 0.00 54.79 51.01 1xn8 n ASP 44 Cb 0.57 0.07 -0.13 0.00 -1.14 0.00 0.00 41.12 40.49 1xn8 n ASP 44 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1xn8 s PHE 45 N -2.62 3.29 -0.16 2.11 0.08 -1.26 -4.90 117.98 114.53 1xn8 s PHE 45 Ca 0.21 -3.02 -0.16 0.00 0.12 0.00 0.00 56.93 54.08 1xn8 s PHE 45 Cb -0.02 -2.95 -0.06 0.00 -0.57 0.00 0.00 43.02 39.43 1xn8 s PHE 45 CO 0.13 -0.79 -0.32 0.43 -0.10 0.00 0.00 175.22 174.58 1xn8 n SER 46 N 3.31 1.87 -4.34 1.36 7.64 -1.26 -4.88 113.62 117.32 1xn8 n SER 46 Ca 0.06 0.31 -0.54 0.00 1.01 0.00 0.00 58.87 59.71 1xn8 n SER 46 Cb 0.35 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.72 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 -4.38 0.88 0.31 6.43 8.00 -1.26 -4.68 116.55 121.85 1xn8 n ASP 47 Ca -0.13 0.51 0.17 0.00 0.71 0.00 0.00 54.79 56.05 1xn8 n ASP 47 Cb 0.48 -0.97 0.89 0.00 -0.02 0.00 0.00 41.12 41.50 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 10.38 1.37 -0.33 2.24 0.00 -2.00 0.85 119.26 131.75 1xn8 h ALA 48 Ca -0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1xn8 h ALA 48 Cb 1.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1xn8 h ALA 48 CO 1.15 -0.29 0.05 -0.85 0.00 0.00 0.00 179.25 179.31 1xn8 n GLU 49 N -3.06 2.83 -2.68 0.00 0.00 -1.26 -4.24 120.64 112.23 1xn8 n GLU 49 Ca -0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 57.16 55.46 1xn8 n GLU 49 Cb 0.33 -1.86 0.09 0.00 0.00 0.00 0.00 31.44 30.01 1xn8 n GLU 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1xn8 n TYR 50 N 0.22 -1.01 -3.66 -1.84 9.36 0.29 -5.07 117.16 115.45 1xn8 n TYR 50 Ca 0.17 -0.99 -0.27 0.00 3.32 0.00 0.00 57.90 60.13 1xn8 n TYR 50 Cb 0.80 1.24 -0.10 0.00 -0.63 0.00 0.00 39.34 40.65 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 0.89 1.39 -2.53 2.97 5.41 -1.20 -4.56 119.36 121.74 1xn8 n ILE 51 Ca -0.01 -4.76 -0.38 0.00 1.00 0.00 0.00 62.75 58.60 1xn8 n ILE 51 Cb 0.72 -2.09 -0.04 0.00 -0.71 0.00 0.00 39.64 37.53 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 -1.59 4.30 -0.43 0.38 0.04 -1.26 -5.02 135.00 131.42 1xn8 s PRO 52 Ca 0.31 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.98 1xn8 s PRO 52 Cb 0.04 -2.72 0.18 0.00 0.04 0.00 0.00 34.50 32.03 1xn8 s PRO 52 CO -0.12 -0.04 0.43 -0.11 0.04 0.00 0.00 177.00 177.20 1xn8 n LEU 53 N 0.28 -1.06 0.00 -3.56 7.94 -1.26 -5.05 117.00 114.30 1xn8 n LEU 53 Ca 0.03 -4.10 -0.23 0.00 -1.11 0.00 0.00 56.01 50.60 1xn8 n LEU 53 Cb 0.48 0.60 0.18 0.00 0.53 0.00 0.00 43.42 45.21 1xn8 n LEU 53 CO 0.47 1.89 0.59 -0.81 -1.11 0.00 0.00 177.39 178.42 1xn8 n PRO 54 N 2.78 -1.84 0.20 1.96 -0.04 -1.26 -4.87 135.00 131.94 1xn8 n PRO 54 Ca 0.27 -1.49 0.13 0.00 -0.04 0.00 0.00 63.50 62.37 1xn8 n PRO 54 Cb 0.50 -1.18 0.35 0.00 -0.04 0.00 0.00 33.50 33.14 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 0.00 -0.02 0.54 4.81 -1.99 -2.83 114.58 115.09 1xn8 h GLU 55 Ca -0.33 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1xn8 h GLU 55 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1xn8 h GLU 55 CO 0.22 0.00 -0.11 1.79 -0.73 0.00 0.00 179.01 180.18 1xn8 h THR 56 N 0.00 1.50 0.42 0.32 1.35 -1.92 -1.32 112.91 113.25 1xn8 h THR 56 Ca 0.00 -1.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.20 1xn8 h THR 56 Cb 0.79 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1xn8 h THR 56 CO 0.00 0.44 -0.20 0.58 -0.25 0.00 0.00 175.52 176.09 1xn8 h VAL 57 N -0.50 0.58 -0.65 6.82 2.07 -1.77 1.14 116.25 123.95 1xn8 h VAL 57 Ca -0.01 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.38 1xn8 h VAL 57 Cb 0.78 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 1xn8 h VAL 57 CO 0.02 0.05 0.21 0.03 0.02 0.00 0.00 177.57 177.90 1xn8 h ARG 58 N -0.71 0.35 0.06 1.57 3.08 -1.61 0.99 114.38 118.12 1xn8 h ARG 58 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xn8 h ARG 58 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1xn8 h ARG 58 CO 0.09 0.23 -0.03 1.25 -1.07 0.00 0.00 179.97 180.45 1xn8 h LEU 59 N 0.36 -0.07 -0.70 3.04 5.85 -1.05 0.94 115.31 123.69 1xn8 h LEU 59 Ca 0.34 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1xn8 h LEU 59 Cb 0.48 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1xn8 h LEU 59 CO -0.37 0.31 0.29 0.00 -0.34 0.00 0.00 178.44 178.33 1xn8 h ALA 60 N 0.45 0.95 -0.25 1.25 0.00 0.22 0.77 119.26 122.65 1xn8 h ALA 60 Ca -0.01 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1xn8 h ALA 60 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xn8 h ALA 60 CO 0.01 -0.16 -0.46 1.25 0.00 0.00 0.00 179.25 179.90 1xn8 h LEU 61 N 0.48 0.83 -0.88 0.00 7.12 0.11 0.84 115.31 123.81 1xn8 h LEU 61 Ca 0.36 -0.54 0.06 0.00 0.13 0.00 0.00 57.88 57.89 1xn8 h LEU 61 Cb 0.48 -0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 40.31 1xn8 h LEU 61 CO -0.34 1.21 0.55 -0.07 -0.13 0.00 0.00 178.44 179.66 1xn8 h LEU 62 N 0.48 0.88 0.11 2.25 3.38 0.26 1.35 115.31 124.02 1xn8 h LEU 62 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xn8 h LEU 62 Cb 1.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1xn8 h LEU 62 CO 0.10 0.57 -0.05 0.11 0.09 0.00 0.00 178.44 179.26 1xn8 h LYS 63 N 1.02 -0.15 -0.02 1.13 1.57 0.60 0.97 116.57 121.69 1xn8 h LYS 63 Ca 0.37 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.19 1xn8 h LYS 63 Cb 0.13 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1xn8 h LYS 63 CO -0.16 0.32 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.77 1xn8 h LEU 64 N -0.70 -0.56 0.12 2.94 3.38 -0.42 1.48 115.31 121.54 1xn8 h LEU 64 Ca -0.02 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xn8 h LEU 64 Cb 0.53 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1xn8 h LEU 64 CO 0.03 -0.25 -0.19 0.77 0.09 0.00 0.00 178.44 178.89 1xn8 h SER 65 N -0.30 -0.51 -0.77 -0.43 4.64 0.17 0.15 113.55 116.51 1xn8 h SER 65 Ca 0.06 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1xn8 h SER 65 Cb 0.38 0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.62 1xn8 h SER 65 CO -0.20 -0.27 0.48 -0.61 -0.87 0.00 0.00 176.83 175.37 1xn8 h GLN 66 N -0.37 0.90 -0.27 4.77 4.15 -0.36 0.52 115.11 124.46 1xn8 h GLN 66 Ca 0.02 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1xn8 h GLN 66 Cb 0.38 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1xn8 h GLN 66 CO -0.09 0.60 0.13 0.35 -1.93 0.00 0.00 178.83 177.89 1xn8 h PHE 67 N 0.93 0.24 0.33 3.99 3.04 0.27 0.34 116.94 126.07 1xn8 h PHE 67 Ca 0.31 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.26 1xn8 h PHE 67 Cb 0.05 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1xn8 h PHE 67 CO -0.04 0.13 -0.16 1.88 -2.02 0.00 0.00 178.31 178.11 1xn8 h TYR 68 N 0.28 -0.41 -0.72 0.41 0.05 -0.16 -2.75 116.97 113.67 1xn8 h TYR 68 Ca 0.11 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 59.08 1xn8 h TYR 68 Cb 0.04 0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1xn8 h TYR 68 CO -0.10 -0.06 0.51 0.00 -1.05 0.00 0.00 178.16 177.46 1xn8 h ALA 69 N -0.46 2.62 -0.52 3.88 0.00 0.07 0.71 119.26 125.57 1xn8 h ALA 69 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xn8 h ALA 69 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xn8 h ALA 69 CO 0.07 -0.83 0.00 -0.11 0.00 0.00 0.00 179.25 178.39 1xn8 n LEU 70 N -4.34 0.04 -0.30 0.00 7.94 0.12 0.18 117.00 120.63 1xn8 n LEU 70 Ca 0.14 0.88 0.09 0.00 -1.11 0.00 0.00 56.01 56.00 1xn8 n LEU 70 Cb 0.76 -0.41 0.31 0.00 0.53 0.00 0.00 43.42 44.60 1xn8 n LEU 70 CO 0.37 -0.41 1.23 0.16 -1.11 0.00 0.00 177.39 177.63 1xn8 h ILE 71 N 0.00 0.91 -0.25 1.96 3.07 -1.15 -0.04 117.51 122.01 1xn8 h ILE 71 Ca 0.00 -0.29 -0.01 0.00 1.55 0.00 0.00 64.86 66.11 1xn8 h ILE 71 Cb 0.00 -0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 36.51 1xn8 h ILE 71 CO 0.00 0.16 0.13 0.78 -1.05 0.00 0.00 178.15 178.17 1xn8 h ASN 72 N 0.86 0.31 -0.54 2.16 2.35 0.49 -2.31 115.58 118.89 1xn8 h ASN 72 Ca 0.45 -0.09 -0.35 0.00 -0.55 0.00 0.00 56.30 55.76 1xn8 h ASN 72 Cb 0.54 -0.08 -0.16 0.00 0.05 0.00 0.00 38.32 38.67 1xn8 h ASN 72 CO -0.22 0.31 0.45 0.61 -1.65 0.00 0.00 177.43 176.94 1xn8 n GLY 73 N -0.93 4.11 3.96 2.83 0.00 0.47 -4.87 105.19 110.76 1xn8 n GLY 73 Ca -0.03 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 1xn8 n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xn8 s ASP 74 N -0.12 4.88 0.31 1.61 2.15 -0.63 -4.63 116.67 120.23 1xn8 s ASP 74 Ca 0.34 -1.03 0.03 0.00 0.43 0.00 0.00 52.55 52.32 1xn8 s ASP 74 Cb 0.27 0.31 0.78 0.00 -0.30 0.00 0.00 42.92 43.98 1xn8 s ASP 74 CO 0.01 -1.19 1.58 -0.33 -0.17 0.00 0.00 175.17 175.07 1xn8 h GLU 75 N 0.49 0.04 0.00 4.34 3.07 -1.90 -3.43 114.58 117.19 1xn8 h GLU 75 Ca -0.34 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1xn8 h GLU 75 Cb 1.29 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1xn8 h GLU 75 CO 0.49 0.02 0.00 0.45 -1.40 0.00 0.00 179.01 178.58 1xn8 n SER 76 N -5.43 0.00 -1.47 1.42 2.88 -1.26 -5.16 113.62 104.60 1xn8 n SER 76 Ca 0.24 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.88 1xn8 n SER 76 Cb 0.78 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.18 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xn8 n ILE 77 N 0.00 -1.61 -4.70 2.46 5.41 -1.26 -4.94 119.36 114.71 1xn8 n ILE 77 Ca 0.00 1.09 -0.30 0.00 1.00 0.00 0.00 62.75 64.54 1xn8 n ILE 77 Cb 0.00 -1.72 -0.13 0.00 -0.71 0.00 0.00 39.64 37.07 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 -4.77 2.43 0.00 1.39 1.09 -0.93 -4.97 121.20 115.44 1xn8 s ILE 78 Ca 0.00 -1.38 0.00 0.00 -1.10 0.00 0.00 60.65 58.17 1xn8 s ILE 78 Cb 0.00 -2.01 0.00 0.00 -1.06 0.00 0.00 42.46 39.39 1xn8 s ILE 78 CO 0.00 0.30 0.86 2.29 -0.10 0.00 0.00 174.94 178.28 1xn8 n LYS 79 N 1.50 0.00 -1.48 2.79 2.85 -1.26 0.93 118.16 123.49 1xn8 n LYS 79 Ca -0.17 -0.78 0.00 0.00 -1.05 0.00 0.00 58.31 56.31 1xn8 n LYS 79 Cb 0.52 -0.41 0.00 0.00 -0.65 0.00 0.00 35.03 34.49 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 0.00 -4.24 7.00 2.58 0.00 -1.26 -4.88 105.19 104.39 1xn8 n GLY 80 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1xn8 n GLY 80 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xn8 n TYR 81 N 0.82 -0.81 -3.72 1.61 4.11 -1.26 -4.74 117.16 113.17 1xn8 n TYR 81 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.67 1xn8 n TYR 81 Cb 0.00 0.01 -0.18 0.00 -0.00 0.00 0.00 39.34 39.17 1xn8 n TYR 81 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1xn8 s THR 82 N 0.00 0.20 0.00 -3.48 -4.23 -1.26 -5.13 115.64 101.74 1xn8 s THR 82 Ca 0.00 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1xn8 s THR 82 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1xn8 s THR 82 CO 0.00 0.14 0.00 0.41 -0.54 0.00 0.00 174.62 174.63 1xn8 n THR 83 N 5.20 0.00 0.11 3.99 -1.04 -1.26 -5.03 114.28 116.25 1xn8 n THR 83 Ca -0.06 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.04 1xn8 n THR 83 Cb 0.50 -0.11 0.18 0.00 -1.82 0.00 0.00 70.33 69.08 1xn8 n THR 83 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1xn8 n GLU 84 N 0.00 2.31 -4.00 -2.82 2.13 -1.26 -4.85 120.64 112.16 1xn8 n GLU 84 Ca 0.00 -2.09 -0.33 0.00 0.66 0.00 0.00 57.16 55.39 1xn8 n GLU 84 Cb 0.00 -1.41 -0.14 0.00 0.27 0.00 0.00 31.44 30.16 1xn8 n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xn8 s LYS 85 N -1.20 2.38 0.00 5.31 0.00 -1.26 -4.93 119.74 120.05 1xn8 s LYS 85 Ca 0.32 -1.27 0.23 0.00 0.00 0.00 0.00 55.97 55.24 1xn8 s LYS 85 Cb 0.18 -3.00 0.13 0.00 0.00 0.00 0.00 37.83 35.14 1xn8 s LYS 85 CO 0.25 -0.57 1.18 -0.89 0.00 0.00 0.00 175.35 175.33 1xn8 n ILE 86 N 4.53 0.00 -3.84 3.79 2.08 -1.26 -4.69 119.36 119.98 1xn8 n ILE 86 Ca -0.14 -0.44 -0.32 0.00 0.56 0.00 0.00 62.75 62.41 1xn8 n ILE 86 Cb 0.43 1.42 -0.11 0.00 -0.75 0.00 0.00 39.64 40.63 1xn8 n ILE 86 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1xn8 s GLY 87 N -2.05 2.68 0.00 7.39 0.00 -1.26 -5.04 107.32 109.04 1xn8 s GLY 87 Ca 0.24 -3.50 0.00 0.00 0.00 0.00 0.00 44.72 41.47 1xn8 s GLY 87 CO 0.36 1.08 0.00 1.34 0.00 0.00 0.00 173.10 175.87 1xn8 n ASP 88 N 2.80 0.08 -2.56 1.64 2.03 -1.26 -5.07 116.55 114.21 1xn8 n ASP 88 Ca 0.12 -0.16 -0.30 0.00 0.52 0.00 0.00 54.79 54.97 1xn8 n ASP 88 Cb 0.35 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.76 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 3.33 -3.41 -0.67 4.02 -1.26 -4.93 117.16 114.24 1xn8 n TYR 89 Ca 0.00 -2.95 -0.13 0.00 -0.01 0.00 0.00 57.90 54.81 1xn8 n TYR 89 Cb 0.00 -0.31 -0.10 0.00 -0.02 0.00 0.00 39.34 38.91 1xn8 n TYR 89 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1xn8 s SER 90 N -3.05 0.73 -0.50 7.72 0.01 -1.26 -5.06 113.70 112.28 1xn8 s SER 90 Ca 0.49 0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.83 1xn8 s SER 90 Cb 0.41 0.81 0.21 0.00 0.21 0.00 0.00 66.02 67.67 1xn8 s SER 90 CO -0.23 -0.31 0.82 -1.22 0.41 0.00 0.00 173.24 172.70 1xn8 n TYR 91 N 5.34 -3.54 -1.68 2.43 4.01 -1.26 -4.56 117.16 117.91 1xn8 n TYR 91 Ca -0.04 -1.53 -0.48 0.00 -0.16 0.00 0.00 57.90 55.69 1xn8 n TYR 91 Cb 0.50 1.52 -0.05 0.00 -0.31 0.00 0.00 39.34 41.00 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 2.31 0.42 0.00 -0.72 -1.04 0.26 -4.41 114.28 111.10 1xn8 n THR 92 Ca 0.13 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1xn8 n THR 92 Cb 0.60 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1xn8 n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xn8 n LEU 93 N 5.72 0.00 0.00 -4.42 4.77 -0.87 -2.18 117.00 120.01 1xn8 n LEU 93 Ca 0.21 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.22 1xn8 n LEU 93 Cb 0.29 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.59 1xn8 n LEU 93 CO 0.70 0.00 0.55 0.61 -1.33 0.00 0.00 177.39 177.92 1xn8 n GLY 94 N 0.00 -0.80 0.63 -0.72 0.00 -1.26 -4.31 105.19 98.73 1xn8 n GLY 94 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xn8 n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 95 N -0.64 -0.85 0.00 1.61 2.03 -1.26 -4.93 116.55 112.52 1xn8 n ASP 95 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1xn8 n ASP 95 Cb 0.02 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xn8 n GLY 96 N -0.63 0.49 3.81 0.27 0.00 -1.26 -5.13 105.19 102.73 1xn8 n GLY 96 Ca 0.00 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 6.75 -0.85 1.61 0.01 -1.26 -4.99 113.70 114.97 1xn8 s SER 97 Ca 0.00 0.89 -0.08 0.00 1.31 0.00 0.00 55.95 58.07 1xn8 s SER 97 Cb 0.00 -2.25 0.22 0.00 0.21 0.00 0.00 66.02 64.20 1xn8 s SER 97 CO 0.00 0.25 0.76 -0.94 0.41 0.00 0.00 173.24 173.72 1xn8 s SER 98 N -0.63 6.37 -0.02 2.44 1.04 -1.26 -2.06 113.70 119.58 1xn8 s SER 98 Ca 0.23 -3.10 -0.30 0.00 0.48 0.00 0.00 55.95 53.27 1xn8 s SER 98 Cb -0.16 -2.07 -0.07 0.00 0.10 0.00 0.00 66.02 63.82 1xn8 s SER 98 CO 0.12 -0.40 1.86 -0.22 0.98 0.00 0.00 173.24 175.58 1xn8 s LEU 99 N -0.45 4.32 0.06 2.42 2.96 -1.26 -4.97 118.68 121.76 1xn8 s LEU 99 Ca 0.22 2.43 0.01 0.00 -0.22 0.00 0.00 54.13 56.58 1xn8 s LEU 99 Cb -0.12 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1xn8 s LEU 99 CO -0.08 -1.06 0.14 0.00 -1.32 0.00 0.00 176.35 174.02 1xn8 s GLN 100 N 4.42 3.14 0.88 1.98 0.00 -1.26 -4.79 119.66 124.03 1xn8 s GLN 100 Ca 0.83 -0.56 -0.17 0.00 -0.00 0.00 0.00 55.36 55.46 1xn8 s GLN 100 Cb -0.38 -2.88 -0.13 0.00 0.00 0.00 0.00 33.01 29.63 1xn8 s GLN 100 CO 0.36 0.59 -0.47 1.63 0.00 0.00 0.00 175.29 177.40 1xn8 n LYS 101 N 0.44 -0.01 -2.54 9.60 5.02 -1.26 -4.87 118.16 124.54 1xn8 n LYS 101 Ca -0.07 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 1xn8 n LYS 101 Cb 0.51 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 34.35 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xn8 s PRO 102 N -2.01 4.05 -1.01 1.97 0.04 -1.26 -4.91 135.00 131.87 1xn8 s PRO 102 Ca 0.47 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.74 1xn8 s PRO 102 Cb -0.26 -2.40 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 1xn8 s PRO 102 CO 0.77 -0.24 1.97 0.34 0.04 0.00 0.00 177.00 179.88 1xn8 s ASP 103 N -1.68 4.97 -0.09 6.66 2.15 -1.26 -4.51 116.67 122.91 1xn8 s ASP 103 Ca 0.61 -1.01 0.13 0.00 0.43 0.00 0.00 52.55 52.71 1xn8 s ASP 103 Cb -0.20 -2.57 0.20 0.00 -0.30 0.00 0.00 42.92 40.05 1xn8 s ASP 103 CO 0.25 -3.00 1.11 1.33 -0.17 0.00 0.00 175.17 174.69 1xn8 n VAL 104 N 7.94 1.32 -0.06 1.11 0.24 -1.26 -4.76 118.33 122.87 1xn8 n VAL 104 Ca 0.42 -1.60 -0.14 0.00 -2.04 0.00 0.00 64.34 60.99 1xn8 n VAL 104 Cb 0.47 -0.02 -0.07 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.01 0.59 0.00 6.34 5.03 -1.99 -2.30 116.97 124.65 1xn8 h TYR 105 Ca -0.00 -0.20 -0.10 0.00 2.58 0.00 0.00 58.73 61.01 1xn8 h TYR 105 Cb 1.12 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 1xn8 h TYR 105 CO 0.03 0.89 -0.48 0.00 -1.32 0.00 0.00 178.16 177.29 1xn8 h ALA 106 N 0.60 1.12 0.00 1.82 0.00 -1.97 0.54 119.26 121.37 1xn8 h ALA 106 Ca 0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1xn8 h ALA 106 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xn8 h ALA 106 CO 0.06 0.60 -0.37 -0.07 0.00 0.00 0.00 179.25 179.46 1xn8 h LEU 107 N 0.00 0.00 0.00 0.00 3.38 -1.84 -2.40 115.31 114.45 1xn8 h LEU 107 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xn8 h LEU 107 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1xn8 h LEU 107 CO 0.06 0.37 -1.35 2.30 0.09 0.00 0.00 178.44 179.92 1xn8 n ILE 108 N -3.98 0.05 0.47 1.22 -5.35 -0.88 -3.98 119.36 106.91 1xn8 n ILE 108 Ca -0.02 -0.24 0.06 0.00 -0.27 0.00 0.00 62.75 62.28 1xn8 n ILE 108 Cb 0.42 0.43 0.28 0.00 -1.74 0.00 0.00 39.64 39.03 1xn8 n ILE 108 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1xn8 n LYS 109 N -1.89 0.04 0.07 6.28 4.81 0.18 -1.35 118.16 126.29 1xn8 n LYS 109 Ca 0.01 0.26 -0.14 0.00 -0.87 0.00 0.00 58.31 57.56 1xn8 n LYS 109 Cb 0.44 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 1xn8 n LYS 109 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1xn8 h ASP 110 N 0.00 0.58 -1.07 3.14 1.82 -1.68 -3.35 116.42 115.86 1xn8 h ASP 110 Ca 0.00 -0.47 -0.43 0.00 -0.39 0.00 0.00 57.03 55.74 1xn8 h ASP 110 Cb 0.19 -0.18 -0.41 0.00 0.68 0.00 0.00 39.33 39.62 1xn8 h ASP 110 CO 0.00 1.27 -1.02 0.00 -1.61 0.00 0.00 179.24 177.89 1xn8 n TYR 111 N -3.75 1.98 -3.50 0.28 4.11 -0.71 -5.08 117.16 110.50 1xn8 n TYR 111 Ca -0.07 -2.76 -0.38 0.00 -0.00 0.00 0.00 57.90 54.68 1xn8 n TYR 111 Cb 0.85 -0.27 -0.06 0.00 -0.00 0.00 0.00 39.34 39.87 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 -4.06 5.08 -0.93 -3.48 1.01 -0.46 -4.90 120.40 112.67 1xn8 s VAL 112 Ca 0.35 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.87 1xn8 s VAL 112 Cb 0.42 -3.71 -0.21 0.00 0.00 0.00 0.00 36.38 32.88 1xn8 s VAL 112 CO -0.04 0.54 2.48 2.29 0.00 0.00 0.00 175.10 180.37 1xn8 n LYS 113 N 2.17 0.00 -1.22 2.72 2.85 -1.26 -4.85 118.16 118.57 1xn8 n LYS 113 Ca -0.13 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.88 1xn8 n LYS 113 Cb 0.52 -1.37 0.19 0.00 -0.65 0.00 0.00 35.03 33.73 1xn8 n LYS 113 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1xn8 n PRO 114 N 7.73 -1.90 -3.03 -1.58 -0.04 -1.26 -4.99 135.00 129.92 1xn8 n PRO 114 Ca 0.62 -1.57 -0.36 0.00 -0.04 0.00 0.00 63.50 62.14 1xn8 n PRO 114 Cb 0.04 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 -4.12 5.00 -2.41 0.55 0.00 -1.26 -5.01 120.51 113.27 1xn8 n ALA 115 Ca -0.17 -4.75 -0.30 0.00 0.00 0.00 0.00 53.44 48.21 1xn8 n ALA 115 Cb 0.48 -1.71 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.13 3.51 0.19 0.00 2.15 -1.26 -5.14 116.67 114.00 1xn8 s ASP 116 Ca 0.37 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.84 1xn8 s ASP 116 Cb 0.14 -0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.30 1xn8 s ASP 116 CO -0.00 0.25 0.00 -0.81 -0.17 0.00 0.00 175.17 174.44 1xn8 n PRO 117 N 1.61 0.71 -0.71 4.34 -0.04 -1.26 -4.90 135.00 134.76 1xn8 n PRO 117 Ca -0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 1xn8 n PRO 117 Cb 0.52 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.15 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 -0.57 3.67 0.20 3.54 2.03 -1.26 -4.11 116.55 120.05 1xn8 n ASP 118 Ca 0.00 -2.87 0.14 0.00 0.52 0.00 0.00 54.79 52.58 1xn8 n ASP 118 Cb 0.00 -0.68 0.47 0.00 -0.72 0.00 0.00 41.12 40.19 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 -9.57 -2.67 8.10 -2.02 -3.44 115.31 107.26 1xn8 h LEU 119 Ca 0.26 0.00 -0.51 0.00 0.11 0.00 0.00 57.88 57.75 1xn8 h LEU 119 Cb 1.93 0.00 0.23 0.00 -0.44 0.00 0.00 40.66 42.38 1xn8 h LEU 119 CO 0.57 0.00 -1.13 1.21 -4.11 0.00 0.00 178.44 174.98 1xn8 n GLU 120 N -2.73 -0.66 -1.54 0.17 2.13 -1.26 -4.60 120.64 112.14 1xn8 n GLU 120 Ca 0.03 -0.17 -0.13 0.00 0.66 0.00 0.00 57.16 57.54 1xn8 n GLU 120 Cb 0.36 -1.60 -0.09 0.00 0.27 0.00 0.00 31.44 30.37 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 2.14 -0.27 3.59 8.31 0.00 -1.26 -4.87 105.19 112.83 1xn8 n GLY 121 Ca 0.03 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 14.43 3.22 0.00 -0.61 1.01 -1.26 -4.52 121.20 133.46 1xn8 s ILE 122 Ca 0.89 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1xn8 s ILE 122 Cb -0.14 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1xn8 s ILE 122 CO 0.14 -0.28 0.00 -0.62 0.00 0.00 0.00 174.94 174.18 1xn8 n GLU 123 N -0.51 -0.61 -0.10 2.79 1.02 -1.26 -4.81 120.64 117.16 1xn8 n GLU 123 Ca -0.08 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1xn8 n GLU 123 Cb 0.58 -3.78 -0.05 0.00 -0.02 0.00 0.00 31.44 28.17 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 0.84 -0.13 0.62 0.00 -1.26 -3.41 120.51 118.17 1xn8 n ALA 124 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 53.44 52.68 1xn8 n ALA 124 Cb 0.15 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.88 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 0.82 -0.34 0.00 1.63 -1.87 0.89 116.57 116.70 1xn8 h LYS 125 Ca -0.16 -0.08 -0.11 0.00 -0.85 0.00 0.00 60.65 59.45 1xn8 h LYS 125 Cb 1.04 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1xn8 h LYS 125 CO -0.10 0.60 -0.24 0.28 -3.45 0.00 0.00 179.45 176.54 1xn8 h VAL 126 N 0.83 1.27 0.00 2.00 2.07 -1.95 1.01 116.25 121.48 1xn8 h VAL 126 Ca 0.21 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1xn8 h VAL 126 Cb 0.01 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1xn8 h VAL 126 CO -0.04 0.43 -0.05 0.03 0.02 0.00 0.00 177.57 177.96 1xn8 h ARG 127 N 0.58 0.00 0.00 1.57 3.08 -1.21 -2.25 114.38 116.15 1xn8 h ARG 127 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1xn8 h ARG 127 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1xn8 h ARG 127 CO 0.05 0.05 -0.72 -1.33 -1.07 0.00 0.00 179.97 176.96 1xn8 n MET 128 N -3.14 0.48 0.30 0.04 2.81 0.17 -3.09 117.12 114.69 1xn8 n MET 128 Ca 0.02 0.44 0.16 0.00 -1.81 0.00 0.00 57.70 56.51 1xn8 n MET 128 Cb 0.42 -1.62 0.87 0.00 -0.71 0.00 0.00 33.22 32.18 1xn8 n MET 128 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1xn8 h ARG 129 N -1.00 0.00 0.15 0.03 -0.00 0.93 0.16 114.38 114.65 1xn8 h ARG 129 Ca -0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.60 1xn8 h ARG 129 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.67 1xn8 h ARG 129 CO -0.02 0.00 -1.79 1.03 -0.00 0.00 0.00 179.97 179.19 1xn8 h SER 130 N 0.00 0.50 0.00 0.08 0.87 -1.56 -3.50 113.55 109.94 1xn8 h SER 130 Ca 0.00 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 1xn8 h SER 130 Cb 0.36 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1xn8 h SER 130 CO 0.00 1.73 0.00 0.00 -0.53 0.00 0.00 176.83 178.03