#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn8 h LEU 2 N 0.00 -0.05 0.00 -0.89 7.12 -1.88 -3.46 115.31 116.16 1xn8 h LEU 2 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1xn8 h LEU 2 Cb 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1xn8 h LEU 2 CO 0.00 -0.02 0.00 0.18 -0.13 0.00 0.00 178.44 178.47 1xn8 n LEU 3 N -2.45 0.00 -4.57 2.25 4.77 -1.26 -5.07 117.00 110.67 1xn8 n LEU 3 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1xn8 n LEU 3 Cb 0.01 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1xn8 n LEU 3 CO 0.01 -0.01 0.91 0.27 -1.33 0.00 0.00 177.39 177.23 1xn8 s ILE 4 N -1.02 4.29 0.97 -0.08 -5.25 -1.26 -5.00 121.20 113.84 1xn8 s ILE 4 Ca 0.00 0.88 -0.14 0.00 -0.99 0.00 0.00 60.65 60.40 1xn8 s ILE 4 Cb 0.00 -4.56 -0.04 0.00 2.95 0.00 0.00 42.46 40.81 1xn8 s ILE 4 CO 0.00 -1.02 -0.08 0.35 -1.79 0.00 0.00 174.94 172.40 1xn8 n THR 5 N 6.59 0.00 0.12 8.37 -2.24 -1.26 -4.40 114.28 121.47 1xn8 n THR 5 Ca 0.08 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1xn8 n THR 5 Cb 0.49 -0.37 0.11 0.00 -2.10 0.00 0.00 70.33 68.45 1xn8 n THR 5 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xn8 h PRO 6 N -1.34 0.00 -0.35 -0.78 0.13 -1.91 -3.04 132.00 124.70 1xn8 h PRO 6 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1xn8 h PRO 6 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1xn8 h PRO 6 CO 0.30 0.67 -0.05 0.22 -0.23 0.00 0.00 178.00 178.91 1xn8 h ASP 7 N 0.00 0.55 0.11 1.44 1.82 -1.95 -2.10 116.42 116.30 1xn8 h ASP 7 Ca -0.01 -0.13 -0.11 0.00 -0.39 0.00 0.00 57.03 56.39 1xn8 h ASP 7 Cb 1.27 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 1xn8 h ASP 7 CO 0.09 0.66 -0.39 -0.08 -1.61 0.00 0.00 179.24 177.90 1xn8 h GLU 8 N 0.54 0.37 -0.16 0.28 4.22 -1.88 -1.14 114.58 116.81 1xn8 h GLU 8 Ca 0.11 -0.17 0.04 0.00 0.08 0.00 0.00 59.36 59.42 1xn8 h GLU 8 Cb 0.42 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1xn8 h GLU 8 CO 0.02 0.71 -0.11 1.25 -2.18 0.00 0.00 179.01 178.70 1xn8 h LEU 9 N 0.31 -0.35 -0.93 1.64 5.85 -1.31 0.19 115.31 120.72 1xn8 h LEU 9 Ca 0.03 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1xn8 h LEU 9 Cb 0.83 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1xn8 h LEU 9 CO 0.07 -0.14 -0.51 0.07 -0.34 0.00 0.00 178.44 177.58 1xn8 h LYS 10 N -0.11 0.06 0.00 1.25 2.10 -1.41 0.65 116.57 119.12 1xn8 h LYS 10 Ca 0.10 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1xn8 h LYS 10 Cb 0.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1xn8 h LYS 10 CO -0.23 0.56 -0.15 1.03 -2.00 0.00 0.00 179.45 178.67 1xn8 h SER 11 N 0.05 0.00 0.01 7.07 0.87 0.18 -3.13 113.55 118.60 1xn8 h SER 11 Ca -0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 1xn8 h SER 11 Cb 0.92 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.82 1xn8 h SER 11 CO 0.07 0.15 -2.43 0.00 -0.53 0.00 0.00 176.83 174.09 1xn8 n TYR 12 N -3.94 0.13 -2.70 2.24 4.19 0.52 -4.93 117.16 112.67 1xn8 n TYR 12 Ca -0.02 0.04 -0.42 0.00 3.31 0.00 0.00 57.90 60.81 1xn8 n TYR 12 Cb 0.24 -1.02 -0.04 0.00 0.49 0.00 0.00 39.34 39.01 1xn8 n TYR 12 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1xn8 s SER 13 N -6.85 7.41 -0.56 2.98 1.04 0.22 -4.93 113.70 113.00 1xn8 s SER 13 Ca -0.35 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 57.80 1xn8 s SER 13 Cb 0.10 -2.58 0.33 0.00 0.10 0.00 0.00 66.02 63.97 1xn8 s SER 13 CO 0.58 -0.19 2.10 1.33 0.98 0.00 0.00 173.24 178.04 1xn8 n VAL 14 N 3.41 3.33 -4.32 5.02 0.24 -1.26 -4.60 118.33 120.15 1xn8 n VAL 14 Ca 0.05 -2.68 -0.34 0.00 -2.04 0.00 0.00 64.34 59.33 1xn8 n VAL 14 Cb 0.50 -1.26 -0.13 0.00 -1.47 0.00 0.00 33.84 31.47 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 -3.02 2.95 0.25 6.34 0.40 -1.26 -4.99 117.98 118.65 1xn8 s PHE 15 Ca 0.52 -0.57 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1xn8 s PHE 15 Cb 0.41 -1.99 0.30 0.00 0.51 0.00 0.00 43.02 42.25 1xn8 s PHE 15 CO -0.07 -0.24 1.66 1.49 0.70 0.00 0.00 175.22 178.76 1xn8 h GLU 16 N 7.18 0.58 -0.74 0.44 4.57 -1.99 -2.05 114.58 122.57 1xn8 h GLU 16 Ca -0.33 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 57.62 1xn8 h GLU 16 Cb 1.19 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 1xn8 h GLU 16 CO 0.60 0.80 0.49 0.66 -1.18 0.00 0.00 179.01 180.39 1xn8 h SER 17 N 0.51 0.85 0.41 1.04 4.64 -1.92 0.53 113.55 119.60 1xn8 h SER 17 Ca 0.07 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 1xn8 h SER 17 Cb 0.74 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1xn8 h SER 17 CO 0.06 0.61 -0.70 0.58 -0.87 0.00 0.00 176.83 176.51 1xn8 h VAL 18 N 1.00 1.42 0.22 0.95 2.07 -1.72 -2.68 116.25 117.50 1xn8 h VAL 18 Ca 0.27 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1xn8 h VAL 18 Cb -0.11 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1xn8 h VAL 18 CO -0.06 0.65 -0.10 0.11 0.02 0.00 0.00 177.57 178.18 1xn8 h LYS 19 N 0.17 -0.28 -0.72 1.57 1.57 -0.47 -3.20 116.57 115.21 1xn8 h LYS 19 Ca -0.02 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1xn8 h LYS 19 Cb 1.25 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.51 1xn8 h LYS 19 CO 0.11 0.10 0.08 1.79 -0.57 0.00 0.00 179.45 180.96 1xn8 h THR 20 N -0.78 0.43 -2.75 -0.16 1.35 -0.04 -3.42 112.91 107.54 1xn8 h THR 20 Ca -0.03 -0.06 -0.58 0.00 -0.55 0.00 0.00 66.41 65.19 1xn8 h THR 20 Cb 0.51 0.25 0.17 0.00 -1.73 0.00 0.00 68.15 67.35 1xn8 h THR 20 CO 0.05 0.03 -0.57 0.54 -0.25 0.00 0.00 175.52 175.32 1xn8 n ARG 21 N -5.26 0.39 -0.40 4.72 1.74 -1.01 -4.97 116.66 111.87 1xn8 n ARG 21 Ca 0.13 0.15 -0.08 0.00 -0.77 0.00 0.00 57.85 57.29 1xn8 n ARG 21 Cb 0.45 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.41 1xn8 n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xn8 n PRO 22 N 0.28 -0.95 -0.04 5.56 -0.04 -1.26 -4.91 135.00 133.64 1xn8 n PRO 22 Ca 0.11 -0.51 -0.03 0.00 -0.04 0.00 0.00 63.50 63.03 1xn8 n PRO 22 Cb 0.47 -0.40 -0.14 0.00 -0.04 0.00 0.00 33.50 33.39 1xn8 n PRO 22 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xn8 n ASP 23 N -3.36 0.27 0.15 3.54 8.00 -1.26 -2.76 116.55 121.13 1xn8 n ASP 23 Ca 0.04 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1xn8 n ASP 23 Cb 0.16 0.95 0.20 0.00 -0.02 0.00 0.00 41.12 42.41 1xn8 n ASP 23 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1xn8 h GLU 24 N 0.00 0.00 0.05 -1.24 4.11 -2.00 -2.42 114.58 113.09 1xn8 h GLU 24 Ca -0.31 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.86 1xn8 h GLU 24 Cb 1.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 1xn8 h GLU 24 CO 0.03 0.56 -1.38 -0.07 0.07 0.00 0.00 179.01 178.23 1xn8 h LEU 25 N 0.00 0.17 -0.53 3.06 3.38 -1.96 -3.22 115.31 116.20 1xn8 h LEU 25 Ca -0.01 -0.70 0.11 0.00 0.09 0.00 0.00 57.88 57.37 1xn8 h LEU 25 Cb 1.07 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 1xn8 h LEU 25 CO 0.07 1.57 -0.17 -0.07 0.09 0.00 0.00 178.44 179.93 1xn8 h LEU 26 N -0.63 -0.62 -0.84 1.67 3.38 -1.56 0.49 115.31 117.20 1xn8 h LEU 26 Ca -0.34 0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xn8 h LEU 26 Cb 1.54 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 42.61 1xn8 h LEU 26 CO -0.08 -0.21 0.52 0.07 0.09 0.00 0.00 178.44 178.83 1xn8 h LYS 27 N -0.05 0.94 -0.55 1.13 2.10 -1.60 0.43 116.57 118.98 1xn8 h LYS 27 Ca 0.25 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1xn8 h LYS 27 Cb 0.43 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 31.53 1xn8 h LYS 27 CO -0.57 0.62 0.35 1.96 -2.00 0.00 0.00 179.45 179.81 1xn8 h GLN 28 N 0.97 0.74 -0.29 0.07 4.20 -0.37 -2.09 115.11 118.33 1xn8 h GLN 28 Ca 0.36 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 1xn8 h GLN 28 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1xn8 h GLN 28 CO -0.16 0.51 0.01 0.22 -0.67 0.00 0.00 178.83 178.74 1xn8 h ASP 29 N 0.74 0.50 -0.99 1.46 3.58 0.80 -2.00 116.42 120.52 1xn8 h ASP 29 Ca 0.20 -0.30 0.27 0.00 0.42 0.00 0.00 57.03 57.62 1xn8 h ASP 29 Cb -0.05 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 40.82 1xn8 h ASP 29 CO -0.04 0.68 0.69 0.40 -2.88 0.00 0.00 179.24 178.09 1xn8 h ILE 30 N 0.31 0.53 0.07 2.25 2.04 0.22 1.05 117.51 123.98 1xn8 h ILE 30 Ca 0.08 -0.04 -0.25 0.00 1.00 0.00 0.00 64.86 65.66 1xn8 h ILE 30 Cb 0.42 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1xn8 h ILE 30 CO 0.01 0.02 -1.10 -0.07 0.00 0.00 0.00 178.15 177.01 1xn8 h LEU 31 N 0.10 0.49 -1.95 1.44 3.38 -0.78 -3.10 115.31 114.89 1xn8 h LEU 31 Ca 0.49 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xn8 h LEU 31 Cb 1.75 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 1xn8 h LEU 31 CO -0.07 1.30 -0.11 -0.08 0.09 0.00 0.00 178.44 179.57 1xn8 h GLU 32 N 0.15 0.00 -0.06 1.13 4.81 0.18 -2.24 114.58 118.54 1xn8 h GLU 32 Ca -0.11 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1xn8 h GLU 32 Cb 1.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1xn8 h GLU 32 CO 0.19 0.11 -0.22 0.00 -0.73 0.00 0.00 179.01 178.35 1xn8 h ALA 33 N 1.89 0.11 0.00 2.92 0.00 -0.99 -3.01 119.26 120.19 1xn8 h ALA 33 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1xn8 h ALA 33 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xn8 h ALA 33 CO 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 179.25 179.33 1xn8 h THR 34 N -0.25 0.43 -0.33 0.00 1.03 -1.39 -1.66 112.91 110.74 1xn8 h THR 34 Ca -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1xn8 h THR 34 Cb 0.86 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 69.02 1xn8 h THR 34 CO 0.05 0.03 0.21 0.00 -0.01 0.00 0.00 175.52 175.80 1xn8 h ALA 35 N 1.97 0.42 -0.00 0.00 0.00 -1.28 1.29 119.26 121.66 1xn8 h ALA 35 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xn8 h ALA 35 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xn8 h ALA 35 CO 0.00 -0.10 -0.00 0.22 0.00 0.00 0.00 179.25 179.37 1xn8 h ASP 36 N 0.44 0.01 -0.58 0.00 3.58 -1.36 0.18 116.42 118.69 1xn8 h ASP 36 Ca 0.12 -0.42 0.05 0.00 0.42 0.00 0.00 57.03 57.19 1xn8 h ASP 36 Cb -0.03 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1xn8 h ASP 36 CO -0.02 0.43 0.39 0.40 -2.88 0.00 0.00 179.24 177.55 1xn8 h ILE 37 N -0.41 1.04 -0.20 2.25 2.04 -1.22 0.59 117.51 121.59 1xn8 h ILE 37 Ca 0.00 -0.21 -0.19 0.00 1.00 0.00 0.00 64.86 65.45 1xn8 h ILE 37 Cb 0.43 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1xn8 h ILE 37 CO 0.00 0.11 -0.64 0.40 0.00 0.00 0.00 178.15 178.02 1xn8 h ILE 38 N 0.63 1.30 -0.05 -0.67 2.04 0.19 -2.23 117.51 118.71 1xn8 h ILE 38 Ca 0.24 -1.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 1xn8 h ILE 38 Cb 0.18 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1xn8 h ILE 38 CO -0.07 0.59 -0.47 -0.07 0.00 0.00 0.00 178.15 178.13 1xn8 h LEU 39 N 0.53 0.14 -0.19 1.44 3.38 0.11 1.17 115.31 121.89 1xn8 h LEU 39 Ca -0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1xn8 h LEU 39 Cb 1.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1xn8 h LEU 39 CO 0.13 0.59 0.02 0.11 0.09 0.00 0.00 178.44 179.38 1xn8 h LYS 40 N 0.11 0.32 0.00 1.13 1.57 0.27 -2.84 116.57 117.13 1xn8 h LYS 40 Ca 0.00 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1xn8 h LYS 40 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1xn8 h LYS 40 CO 0.07 0.50 -0.43 -0.39 -0.57 0.00 0.00 179.45 178.63 1xn8 h VAL 41 N 0.10 0.66 -2.03 0.50 -1.51 -1.23 -3.46 116.25 109.28 1xn8 h VAL 41 Ca 0.06 -1.95 -0.09 0.00 -1.23 0.00 0.00 66.70 63.49 1xn8 h VAL 41 Cb 0.35 2.32 0.03 0.00 -2.13 0.00 0.00 31.29 31.85 1xn8 h VAL 41 CO 0.01 0.38 -0.15 0.61 -1.23 0.00 0.00 177.57 177.18 1xn8 n GLY 42 N 1.20 0.58 3.61 5.19 0.00 0.39 -4.31 105.19 111.86 1xn8 n GLY 42 Ca 0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.02 -0.32 0.30 1.61 -3.43 -0.03 -5.00 115.29 105.40 1xn8 s HIS 43 Ca 0.13 0.66 0.07 0.00 -0.80 0.00 0.00 55.06 55.12 1xn8 s HIS 43 Cb -0.06 0.43 -0.03 0.00 -1.43 0.00 0.00 32.58 31.50 1xn8 s HIS 43 CO 0.16 -0.22 0.28 0.16 -2.00 0.00 0.00 174.74 173.11 1xn8 s ASP 44 N -0.52 5.48 -1.10 7.38 -4.77 -1.26 -4.54 116.67 117.34 1xn8 s ASP 44 Ca 0.02 -0.35 -0.05 0.00 -3.30 0.00 0.00 52.55 48.87 1xn8 s ASP 44 Cb -0.03 -1.20 0.30 0.00 -1.09 0.00 0.00 42.92 40.91 1xn8 s ASP 44 CO -0.04 -0.23 1.43 0.49 0.70 0.00 0.00 175.17 177.51 1xn8 n PHE 45 N -1.33 2.89 -0.01 2.11 3.72 -1.26 -4.79 117.46 118.80 1xn8 n PHE 45 Ca -0.04 -2.85 -0.01 0.00 -0.05 0.00 0.00 57.45 54.50 1xn8 n PHE 45 Cb 0.59 -1.38 -0.00 0.00 -0.94 0.00 0.00 39.48 37.75 1xn8 n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xn8 h SER 46 N 5.69 -0.06 -0.48 4.37 0.87 -1.97 -3.45 113.55 118.53 1xn8 h SER 46 Ca 0.20 0.00 -0.74 0.00 -1.23 0.00 0.00 61.79 60.02 1xn8 h SER 46 Cb 0.67 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1xn8 h SER 46 CO 1.28 0.29 1.30 0.47 -0.53 0.00 0.00 176.83 179.65 1xn8 n ASP 47 N -4.03 1.31 0.20 6.23 8.00 -1.26 -4.72 116.55 122.28 1xn8 n ASP 47 Ca -0.01 0.64 0.14 0.00 0.71 0.00 0.00 54.79 56.27 1xn8 n ASP 47 Cb 0.03 -1.03 0.70 0.00 -0.02 0.00 0.00 41.12 40.80 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 9.83 1.00 -0.20 2.24 0.00 -2.00 0.10 119.26 130.22 1xn8 h ALA 48 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xn8 h ALA 48 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 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 -2.49 1.60 -2.73 0.00 0.00 -1.26 -4.17 120.64 111.59 1xn8 n GLU 49 Ca -0.01 -0.79 -0.08 0.00 0.00 0.00 0.00 57.16 56.29 1xn8 n GLU 49 Cb 0.11 -1.26 0.06 0.00 0.00 0.00 0.00 31.44 30.35 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 0.13 -2.77 -3.17 -1.84 9.36 0.36 -5.03 117.16 114.20 1xn8 n TYR 50 Ca 0.07 -1.63 -0.22 0.00 3.32 0.00 0.00 57.90 59.44 1xn8 n TYR 50 Cb 0.24 1.50 -0.05 0.00 -0.63 0.00 0.00 39.34 40.40 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 1.36 0.56 -2.54 2.97 5.41 -1.24 -4.71 119.36 121.16 1xn8 n ILE 51 Ca 0.07 -4.67 -0.36 0.00 1.00 0.00 0.00 62.75 58.79 1xn8 n ILE 51 Cb 0.66 -1.18 -0.04 0.00 -0.71 0.00 0.00 39.64 38.37 1xn8 n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xn8 s PRO 52 N -2.25 4.05 -0.61 0.38 0.04 -1.26 -5.02 135.00 130.32 1xn8 s PRO 52 Ca 0.40 1.48 0.04 0.00 0.04 0.00 0.00 61.00 62.96 1xn8 s PRO 52 Cb 0.26 -2.41 0.16 0.00 0.04 0.00 0.00 34.50 32.55 1xn8 s PRO 52 CO -0.09 -0.24 0.41 -1.17 0.04 0.00 0.00 177.00 175.96 1xn8 s LEU 53 N -2.90 4.03 0.85 -3.56 2.96 -1.26 -5.07 118.68 113.74 1xn8 s LEU 53 Ca 0.61 -3.50 -0.12 0.00 -0.22 0.00 0.00 54.13 50.90 1xn8 s LEU 53 Cb -0.21 -1.40 0.10 0.00 0.50 0.00 0.00 46.19 45.19 1xn8 s LEU 53 CO 0.26 -0.14 1.12 -2.16 -1.32 0.00 0.00 176.35 174.11 1xn8 s PRO 54 N -0.89 1.65 0.25 0.98 0.04 -1.26 -4.82 135.00 130.96 1xn8 s PRO 54 Ca 0.24 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.72 1xn8 s PRO 54 Cb -0.08 -1.88 0.30 0.00 0.04 0.00 0.00 34.50 32.87 1xn8 s PRO 54 CO -0.13 -1.88 1.80 1.49 0.04 0.00 0.00 177.00 178.32 1xn8 h GLU 55 N -1.28 0.98 0.13 4.56 4.81 -1.99 0.37 114.58 122.17 1xn8 h GLU 55 Ca -0.49 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 58.57 1xn8 h GLU 55 Cb 1.30 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1xn8 h GLU 55 CO 0.60 0.84 -0.26 1.79 -0.73 0.00 0.00 179.01 181.26 1xn8 h THR 56 N 0.95 0.44 0.25 0.32 1.35 -1.93 0.46 112.91 114.75 1xn8 h THR 56 Ca 0.21 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.06 1xn8 h THR 56 Cb 0.27 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1xn8 h THR 56 CO -0.01 0.00 -0.12 0.58 -0.25 0.00 0.00 175.52 175.72 1xn8 h VAL 57 N -0.47 0.80 -0.71 6.82 2.07 -1.78 -0.48 116.25 122.51 1xn8 h VAL 57 Ca 0.03 -0.32 0.16 0.00 0.82 0.00 0.00 66.70 67.39 1xn8 h VAL 57 Cb 0.49 0.99 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 1xn8 h VAL 57 CO -0.14 0.07 0.01 -0.09 0.02 0.00 0.00 177.57 177.44 1xn8 h ARG 58 N -0.49 0.11 -0.42 1.57 2.43 -0.71 1.54 114.38 118.42 1xn8 h ARG 58 Ca -0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1xn8 h ARG 58 Cb 0.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1xn8 h ARG 58 CO 0.06 0.07 0.23 1.25 -1.51 0.00 0.00 179.97 180.07 1xn8 h LEU 59 N 0.12 0.52 -0.72 3.80 5.85 0.13 0.92 115.31 125.93 1xn8 h LEU 59 Ca 0.39 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1xn8 h LEU 59 Cb 0.66 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1xn8 h LEU 59 CO -0.62 0.46 0.32 0.00 -0.34 0.00 0.00 178.44 178.26 1xn8 h ALA 60 N 1.08 0.93 -0.38 1.25 0.00 0.12 0.54 119.26 122.80 1xn8 h ALA 60 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1xn8 h ALA 60 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xn8 h ALA 60 CO -0.02 0.52 -0.07 -0.07 0.00 0.00 0.00 179.25 179.61 1xn8 h LEU 61 N 1.01 0.71 -0.61 0.00 4.07 0.26 0.55 115.31 121.30 1xn8 h LEU 61 Ca 0.24 -0.35 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 1xn8 h LEU 61 Cb 0.16 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1xn8 h LEU 61 CO -0.03 0.90 0.23 -0.07 -1.08 0.00 0.00 178.44 178.39 1xn8 h LEU 62 N 0.52 0.86 0.05 1.67 3.38 0.13 1.43 115.31 123.35 1xn8 h LEU 62 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1xn8 h LEU 62 Cb 0.57 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xn8 h LEU 62 CO 0.03 0.81 -0.02 0.11 0.09 0.00 0.00 178.44 179.46 1xn8 h LYS 63 N 0.86 -0.07 -0.56 1.13 1.79 0.28 -0.28 116.57 119.72 1xn8 h LYS 63 Ca 0.20 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1xn8 h LYS 63 Cb 0.23 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1xn8 h LYS 63 CO -0.01 0.28 0.29 -0.07 -1.08 0.00 0.00 179.45 178.86 1xn8 h LEU 64 N -0.42 0.72 -0.74 2.94 3.38 0.27 0.39 115.31 121.85 1xn8 h LEU 64 Ca -0.01 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xn8 h LEU 64 Cb 0.38 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1xn8 h LEU 64 CO 0.01 0.62 0.43 -1.28 0.09 0.00 0.00 178.44 178.32 1xn8 h SER 65 N 0.76 0.66 -0.14 -0.43 0.87 0.20 0.11 113.55 115.58 1xn8 h SER 65 Ca 0.20 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1xn8 h SER 65 Cb 0.08 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1xn8 h SER 65 CO -0.03 0.43 -0.16 -0.61 -0.53 0.00 0.00 176.83 175.93 1xn8 h GLN 66 N 0.79 0.36 -0.26 2.24 4.15 -0.48 0.26 115.11 122.17 1xn8 h GLN 66 Ca 0.33 -0.20 0.06 0.00 0.77 0.00 0.00 58.65 59.61 1xn8 h GLN 66 Cb 0.18 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.82 1xn8 h GLN 66 CO -0.18 0.76 -0.11 0.35 -1.93 0.00 0.00 178.83 177.72 1xn8 h PHE 67 N -0.02 -0.27 0.14 3.99 3.57 0.31 0.79 116.94 125.45 1xn8 h PHE 67 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xn8 h PHE 67 Cb 0.70 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1xn8 h PHE 67 CO 0.09 -0.18 -0.07 1.88 -2.23 0.00 0.00 178.31 177.80 1xn8 h TYR 68 N -0.07 -0.17 -0.40 0.41 0.05 -0.82 -2.28 116.97 113.69 1xn8 h TYR 68 Ca 0.14 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.03 1xn8 h TYR 68 Cb 0.28 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1xn8 h TYR 68 CO -0.30 0.27 0.37 0.00 -1.05 0.00 0.00 178.16 177.45 1xn8 h ALA 69 N -0.02 2.16 0.03 3.88 0.00 -0.32 1.44 119.26 126.43 1xn8 h ALA 69 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xn8 h ALA 69 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xn8 h ALA 69 CO 0.03 -0.58 -0.02 1.25 0.00 0.00 0.00 179.25 179.94 1xn8 h LEU 70 N 0.00 -0.04 -2.03 0.00 5.85 0.75 -3.19 115.31 116.66 1xn8 h LEU 70 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1xn8 h LEU 70 Cb 0.93 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1xn8 h LEU 70 CO -0.00 -0.01 0.00 0.16 -0.34 0.00 0.00 178.44 178.25 1xn8 h ILE 71 N -0.08 0.00 0.00 4.05 3.07 -0.95 0.91 117.51 124.51 1xn8 h ILE 71 Ca -0.00 -0.01 -0.02 0.00 1.55 0.00 0.00 64.86 66.37 1xn8 h ILE 71 Cb 0.03 0.71 -0.00 0.00 -0.27 0.00 0.00 36.82 37.29 1xn8 h ILE 71 CO 0.01 0.00 -0.09 0.78 -1.05 0.00 0.00 178.15 177.79 1xn8 h ASN 72 N 0.00 0.00 -0.30 2.16 4.21 0.20 -3.38 115.58 118.46 1xn8 h ASN 72 Ca 0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1xn8 h ASN 72 Cb 0.02 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 37.07 1xn8 h ASN 72 CO 0.00 0.09 -0.21 0.61 -1.29 0.00 0.00 177.43 176.63 1xn8 n GLY 73 N -1.18 -1.35 0.00 2.83 0.00 0.24 -5.05 105.19 100.69 1xn8 n GLY 73 Ca -0.03 0.98 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 2.38 0.00 -2.80 1.61 2.03 -0.77 -4.78 116.55 114.23 1xn8 n ASP 74 Ca 0.11 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.32 1xn8 n ASP 74 Cb 0.64 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.07 1xn8 n ASP 74 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1xn8 n GLU 75 N -1.18 0.75 -3.10 -0.67 0.00 -1.26 -5.00 120.64 110.19 1xn8 n GLU 75 Ca 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 57.16 55.22 1xn8 n GLU 75 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.00 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1xn8 n SER 76 N 1.72 -7.66 -4.82 4.31 2.88 -1.26 -4.80 113.62 104.00 1xn8 n SER 76 Ca 0.11 -0.12 -0.38 0.00 -1.33 0.00 0.00 58.87 57.15 1xn8 n SER 76 Cb 0.61 -5.15 -0.06 0.00 -0.75 0.00 0.00 64.21 58.87 1xn8 n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1xn8 s ILE 77 N -3.00 4.77 0.08 2.46 1.01 -1.26 -4.89 121.20 120.36 1xn8 s ILE 77 Ca 0.00 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.85 1xn8 s ILE 77 Cb -0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1xn8 s ILE 77 CO 0.76 0.52 -0.02 -0.51 0.00 0.00 0.00 174.94 175.69 1xn8 s ILE 78 N -1.15 3.92 -0.12 2.92 2.07 -1.22 -4.90 121.20 122.71 1xn8 s ILE 78 Ca 0.30 -0.99 0.14 0.00 -1.41 0.00 0.00 60.65 58.70 1xn8 s ILE 78 Cb -0.19 -2.85 0.32 0.00 0.13 0.00 0.00 42.46 39.87 1xn8 s ILE 78 CO 0.19 0.15 1.16 0.29 -1.91 0.00 0.00 174.94 174.82 1xn8 n LYS 79 N 0.70 1.02 -0.81 3.50 5.02 -1.26 0.89 118.16 127.22 1xn8 n LYS 79 Ca -0.12 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.64 1xn8 n LYS 79 Cb 0.52 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xn8 n GLY 80 N -0.82 -4.06 7.00 0.72 0.00 -1.26 -4.74 105.19 102.02 1xn8 n GLY 80 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.22 -0.88 -3.74 1.61 4.11 -1.26 -4.58 117.16 112.64 1xn8 n TYR 81 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.54 1xn8 n TYR 81 Cb 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 39.34 39.28 1xn8 n TYR 81 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1xn8 s THR 82 N 0.00 5.41 0.00 -3.48 -1.32 -1.26 -5.02 115.64 109.97 1xn8 s THR 82 Ca 0.00 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1xn8 s THR 82 Cb 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 1xn8 s THR 82 CO 0.00 0.48 0.00 1.07 -2.21 0.00 0.00 174.62 173.96 1xn8 n THR 83 N 3.16 0.00 -4.31 5.08 5.66 -1.26 -5.18 114.28 117.43 1xn8 n THR 83 Ca -0.16 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.67 1xn8 n THR 83 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 1xn8 n THR 83 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1xn8 s GLU 84 N 1.51 1.22 -0.47 1.09 2.02 -1.26 -5.05 118.70 117.76 1xn8 s GLU 84 Ca 0.00 -1.53 -0.42 0.00 0.02 0.00 0.00 54.97 53.04 1xn8 s GLU 84 Cb 0.00 -0.94 -0.18 0.00 0.10 0.00 0.00 34.13 33.11 1xn8 s GLU 84 CO 0.00 0.15 2.00 0.36 0.02 0.00 0.00 175.26 177.79 1xn8 n LYS 85 N -0.28 0.00 0.00 1.61 -0.00 -1.26 -4.74 118.16 113.49 1xn8 n LYS 85 Ca -0.09 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.33 1xn8 n LYS 85 Cb 0.60 -1.42 -0.00 0.00 -0.00 0.00 0.00 35.03 34.21 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1xn8 n ILE 86 N 6.04 0.00 0.00 0.58 5.41 -1.26 -4.96 119.36 125.17 1xn8 n ILE 86 Ca 0.51 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 64.11 1xn8 n ILE 86 Cb -0.04 1.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.94 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 1.45 0.73 3.11 7.39 0.00 -1.26 -4.87 105.19 111.73 1xn8 n GLY 87 Ca 0.07 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 1.82 -2.68 -3.64 1.61 9.92 -1.26 -4.57 116.55 117.75 1xn8 n ASP 88 Ca 0.00 -0.10 -0.50 0.00 -0.53 0.00 0.00 54.79 53.66 1xn8 n ASP 88 Cb 0.00 -0.72 -0.07 0.00 -0.64 0.00 0.00 41.12 39.69 1xn8 n ASP 88 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xn8 n TYR 89 N -3.98 1.03 0.00 1.24 4.19 -1.26 -4.76 117.16 113.61 1xn8 n TYR 89 Ca -0.00 0.87 0.00 0.00 3.31 0.00 0.00 57.90 62.08 1xn8 n TYR 89 Cb 0.63 -1.70 0.00 0.00 0.49 0.00 0.00 39.34 38.76 1xn8 n TYR 89 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1xn8 n SER 90 N 2.34 0.00 -3.72 2.98 2.88 -1.26 -5.05 113.62 111.79 1xn8 n SER 90 Ca 0.21 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.51 1xn8 n SER 90 Cb -0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.69 -2.15 -2.09 0.66 4.01 -1.23 -4.34 117.16 112.71 1xn8 n TYR 91 Ca 0.00 0.88 -0.42 0.00 -0.16 0.00 0.00 57.90 58.20 1xn8 n TYR 91 Cb 0.00 -2.79 -0.03 0.00 -0.31 0.00 0.00 39.34 36.21 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 -2.88 3.51 0.64 -0.72 2.01 0.26 -4.12 115.64 114.33 1xn8 s THR 92 Ca 0.03 0.84 -0.12 0.00 0.31 0.00 0.00 61.69 62.75 1xn8 s THR 92 Cb -0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1xn8 s THR 92 CO 0.89 -0.02 1.04 -0.76 -0.69 0.00 0.00 174.62 175.07 1xn8 s LEU 93 N 2.93 3.27 0.60 4.42 1.43 -0.31 -3.46 118.68 127.56 1xn8 s LEU 93 Ca 0.69 1.59 0.39 0.00 -1.03 0.00 0.00 54.13 55.77 1xn8 s LEU 93 Cb -0.34 -4.50 2.00 0.00 0.03 0.00 0.00 46.19 43.38 1xn8 s LEU 93 CO 0.28 -1.15 2.19 1.23 0.23 0.00 0.00 176.35 179.14 1xn8 h GLY 94 N -0.25 0.00 -0.37 -3.19 0.00 -1.88 0.20 103.07 97.58 1xn8 h GLY 94 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xn8 h GLY 94 CO 0.59 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.35 1xn8 n ASP 95 N -2.99 1.13 -0.99 0.19 9.92 -1.26 -4.88 116.55 117.67 1xn8 n ASP 95 Ca -0.02 -1.62 -0.09 0.00 -0.53 0.00 0.00 54.79 52.53 1xn8 n ASP 95 Cb 0.14 -0.07 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 1xn8 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xn8 n GLY 96 N 1.02 0.11 3.80 0.44 0.00 0.70 -5.02 105.19 106.25 1xn8 n GLY 96 Ca 0.15 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.63 5.76 -1.16 1.61 0.01 -1.24 -4.88 113.70 111.16 1xn8 s SER 97 Ca 0.00 0.15 -0.08 0.00 1.31 0.00 0.00 55.95 57.32 1xn8 s SER 97 Cb 0.00 -1.66 0.24 0.00 0.21 0.00 0.00 66.02 64.81 1xn8 s SER 97 CO 0.00 0.25 1.50 -1.20 0.41 0.00 0.00 173.24 174.19 1xn8 n SER 98 N 0.98 5.68 -4.53 2.44 7.64 -1.26 -1.16 113.62 123.41 1xn8 n SER 98 Ca -0.12 -3.18 -0.45 0.00 1.01 0.00 0.00 58.87 56.14 1xn8 n SER 98 Cb 0.52 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 1xn8 n SER 98 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1xn8 n LEU 99 N 3.01 2.55 -4.88 -3.43 7.94 -1.26 -4.92 117.00 116.02 1xn8 n LEU 99 Ca 0.31 0.15 -0.25 0.00 -1.11 0.00 0.00 56.01 55.11 1xn8 n LEU 99 Cb 0.37 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 42.85 1xn8 n LEU 99 CO 0.68 -0.86 -0.14 -1.58 -1.11 0.00 0.00 177.39 174.37 1xn8 s GLN 100 N 6.76 3.18 0.33 1.96 -0.44 -1.26 -4.66 119.66 125.54 1xn8 s GLN 100 Ca 1.05 -0.77 -0.25 0.00 -2.50 0.00 0.00 55.36 52.90 1xn8 s GLN 100 Cb -0.54 -2.79 -0.15 0.00 -1.64 0.00 0.00 33.01 27.89 1xn8 s GLN 100 CO 0.39 0.48 0.53 1.63 0.50 0.00 0.00 175.29 178.83 1xn8 n LYS 101 N -0.65 0.43 -2.53 1.67 5.02 -1.26 -4.88 118.16 115.97 1xn8 n LYS 101 Ca -0.08 0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 1xn8 n LYS 101 Cb 0.55 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.31 4.26 -1.28 1.97 0.04 -1.26 -4.92 135.00 132.50 1xn8 s PRO 102 Ca 0.62 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1xn8 s PRO 102 Cb -0.72 -2.67 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 1xn8 s PRO 102 CO 0.59 -0.07 2.06 -0.25 0.04 0.00 0.00 177.00 179.36 1xn8 n ASP 103 N 0.18 3.77 -1.28 6.66 8.00 -1.26 -4.55 116.55 128.07 1xn8 n ASP 103 Ca 0.04 -2.82 0.08 0.00 0.71 0.00 0.00 54.79 52.81 1xn8 n ASP 103 Cb 0.49 -1.58 0.29 0.00 -0.02 0.00 0.00 41.12 40.30 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 5.70 1.27 0.07 2.53 0.24 -1.26 -4.17 118.33 122.70 1xn8 n VAL 104 Ca 0.51 -0.91 -0.04 0.00 -2.04 0.00 0.00 64.34 61.85 1xn8 n VAL 104 Cb 0.41 0.17 0.16 0.00 -1.47 0.00 0.00 33.84 33.11 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 3.44 0.37 0.00 6.34 3.20 -1.96 -2.43 116.97 125.93 1xn8 h TYR 105 Ca 0.00 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 1xn8 h TYR 105 Cb 1.10 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1xn8 h TYR 105 CO 0.56 0.73 -0.24 0.00 -1.64 0.00 0.00 178.16 177.57 1xn8 h ALA 106 N 1.25 1.17 -0.03 1.82 0.00 -1.98 1.19 119.26 122.68 1xn8 h ALA 106 Ca 0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1xn8 h ALA 106 Cb 0.94 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xn8 h ALA 106 CO 0.08 0.30 -0.55 -0.07 0.00 0.00 0.00 179.25 179.01 1xn8 h LEU 107 N 0.00 0.54 -1.74 0.00 3.38 -1.73 -3.13 115.31 112.63 1xn8 h LEU 107 Ca -0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1xn8 h LEU 107 Cb 0.62 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xn8 h LEU 107 CO 0.03 1.18 0.00 2.30 0.09 0.00 0.00 178.44 182.05 1xn8 n ILE 108 N -4.24 0.51 0.31 1.22 -5.35 -0.96 -4.00 119.36 106.85 1xn8 n ILE 108 Ca -0.10 -0.60 0.20 0.00 -0.27 0.00 0.00 62.75 61.99 1xn8 n ILE 108 Cb 0.64 0.48 0.99 0.00 -1.74 0.00 0.00 39.64 40.01 1xn8 n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1xn8 h LYS 109 N 3.05 0.00 0.01 6.28 3.64 0.15 0.74 116.57 130.44 1xn8 h LYS 109 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1xn8 h LYS 109 Cb 0.68 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1xn8 h LYS 109 CO 0.00 0.00 -0.43 -0.44 -2.27 0.00 0.00 179.45 176.31 1xn8 h ASP 110 N 0.00 0.37 0.69 4.20 5.19 -1.77 -3.30 116.42 121.79 1xn8 h ASP 110 Ca 0.00 -0.78 -0.22 0.00 -0.62 0.00 0.00 57.03 55.41 1xn8 h ASP 110 Cb 0.22 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1xn8 h ASP 110 CO 0.00 1.10 -1.00 1.88 -3.12 0.00 0.00 179.24 178.10 1xn8 h TYR 111 N -0.33 0.28 -1.18 4.55 -1.99 -1.65 -3.45 116.97 113.21 1xn8 h TYR 111 Ca -0.05 -0.18 -0.73 0.00 2.00 0.00 0.00 58.73 59.76 1xn8 h TYR 111 Cb 1.17 -0.02 0.07 0.00 2.00 0.00 0.00 36.73 39.95 1xn8 h TYR 111 CO 0.17 1.06 -0.03 0.28 -0.00 0.00 0.00 178.16 179.64 1xn8 n VAL 112 N -3.56 0.62 -1.39 -2.88 0.31 0.25 -4.43 118.33 107.26 1xn8 n VAL 112 Ca -0.04 -0.16 -0.36 0.00 -0.01 0.00 0.00 64.34 63.77 1xn8 n VAL 112 Cb 0.89 -0.17 -0.15 0.00 -0.91 0.00 0.00 33.84 33.51 1xn8 n VAL 112 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1xn8 n LYS 113 N 1.48 0.00 -1.34 5.55 3.00 -1.26 -4.85 118.16 120.74 1xn8 n LYS 113 Ca 0.19 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.23 1xn8 n LYS 113 Cb 0.15 -1.35 0.21 0.00 0.00 0.00 0.00 35.03 34.04 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 7.64 -2.05 -3.24 1.64 -0.04 -1.26 -5.04 135.00 132.64 1xn8 n PRO 114 Ca 0.61 -1.73 -0.25 0.00 -0.04 0.00 0.00 63.50 62.10 1xn8 n PRO 114 Cb 0.04 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.06 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 -4.23 2.70 -2.62 0.55 0.00 -1.26 -5.09 120.51 110.56 1xn8 n ALA 115 Ca -0.19 -3.60 -0.21 0.00 0.00 0.00 0.00 53.44 49.44 1xn8 n ALA 115 Cb 0.53 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.32 1.78 0.21 0.00 2.15 -1.26 -5.15 116.67 113.08 1xn8 s ASP 116 Ca 0.36 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1xn8 s ASP 116 Cb 0.16 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 1xn8 s ASP 116 CO -0.10 0.06 0.00 -0.81 -0.17 0.00 0.00 175.17 174.15 1xn8 n PRO 117 N 1.95 0.69 -0.90 4.34 -0.04 -1.26 -4.91 135.00 134.88 1xn8 n PRO 117 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 1xn8 n PRO 117 Cb 0.55 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.12 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 4.16 0.17 3.54 2.03 -1.26 -4.21 116.55 120.36 1xn8 n ASP 118 Ca 0.00 -3.17 0.04 0.00 0.52 0.00 0.00 54.79 52.18 1xn8 n ASP 118 Cb 0.00 -0.79 0.20 0.00 -0.72 0.00 0.00 41.12 39.81 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 1.24 0.00 -0.72 -2.67 8.10 -2.03 -3.49 115.31 115.73 1xn8 h LEU 119 Ca 0.45 0.00 0.13 0.00 0.11 0.00 0.00 57.88 58.56 1xn8 h LEU 119 Cb 2.06 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 42.20 1xn8 h LEU 119 CO 0.84 0.45 -1.06 1.21 -4.11 0.00 0.00 178.44 175.77 1xn8 n GLU 120 N -3.40 -3.71 -1.51 0.17 2.13 -1.26 -4.26 120.64 108.79 1xn8 n GLU 120 Ca 0.01 2.94 -0.13 0.00 0.66 0.00 0.00 57.16 60.63 1xn8 n GLU 120 Cb 0.61 -3.88 -0.10 0.00 0.27 0.00 0.00 31.44 28.34 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 -3.26 -0.28 3.24 8.31 0.00 -1.26 -4.84 105.19 107.10 1xn8 n GLY 121 Ca -0.04 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 12.64 1.40 0.00 -0.61 1.01 -1.26 -4.68 121.20 129.70 1xn8 s ILE 122 Ca 0.87 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1xn8 s ILE 122 Cb -0.19 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1xn8 s ILE 122 CO 0.17 -0.28 0.00 -0.62 0.00 0.00 0.00 174.94 174.21 1xn8 n GLU 123 N 0.83 -1.34 -0.10 2.79 1.02 -1.26 -4.77 120.64 117.80 1xn8 n GLU 123 Ca -0.18 0.33 -0.21 0.00 -0.02 0.00 0.00 57.16 57.09 1xn8 n GLU 123 Cb 0.55 -4.41 -0.12 0.00 -0.02 0.00 0.00 31.44 27.45 1xn8 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xn8 n ALA 124 N 1.00 1.25 -0.00 0.62 0.00 -1.26 -3.53 120.51 118.59 1xn8 n ALA 124 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 53.44 52.34 1xn8 n ALA 124 Cb 0.33 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 1xn8 n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xn8 h LYS 125 N -0.22 -0.07 0.03 0.00 3.64 -1.87 -3.17 116.57 114.92 1xn8 h LYS 125 Ca -0.56 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1xn8 h LYS 125 Cb 1.84 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.64 1xn8 h LYS 125 CO -0.12 0.50 -0.27 0.28 -2.27 0.00 0.00 179.45 177.57 1xn8 h VAL 126 N -0.71 0.40 -1.55 2.00 2.07 -1.96 0.43 116.25 116.93 1xn8 h VAL 126 Ca -0.01 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.99 1xn8 h VAL 126 Cb 0.60 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1xn8 h VAL 126 CO 0.01 0.00 1.07 0.03 0.02 0.00 0.00 177.57 178.70 1xn8 h ARG 127 N -0.43 0.04 0.00 1.57 3.08 -1.64 0.54 114.38 117.55 1xn8 h ARG 127 Ca 0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1xn8 h ARG 127 Cb 0.50 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1xn8 h ARG 127 CO -0.21 0.03 -0.27 0.52 -1.07 0.00 0.00 179.97 178.96 1xn8 h MET 128 N 0.04 0.00 -0.88 0.04 2.86 -0.87 -3.10 114.93 113.02 1xn8 h MET 128 Ca 0.83 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 58.73 1xn8 h MET 128 Cb 2.98 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 34.61 1xn8 h MET 128 CO -0.20 0.00 0.94 -0.09 1.06 0.00 0.00 176.91 178.62 1xn8 h ARG 129 N -0.80 0.00 -2.39 1.72 2.43 0.92 -2.57 114.38 113.68 1xn8 h ARG 129 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 1xn8 h ARG 129 Cb 0.27 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 29.44 1xn8 h ARG 129 CO 0.00 0.00 -0.96 -1.12 -1.51 0.00 0.00 179.97 176.38 1xn8 s SER 130 N -4.20 1.57 0.00 -3.80 0.01 0.18 -5.06 113.70 102.40 1xn8 s SER 130 Ca -0.03 -3.07 0.11 0.00 1.31 0.00 0.00 55.95 54.27 1xn8 s SER 130 Cb 0.16 -0.47 0.09 0.00 0.21 0.00 0.00 66.02 66.00 1xn8 s SER 130 CO 0.54 -0.17 0.86 0.00 0.41 0.00 0.00 173.24 174.87