#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 -0.39 -3.13 -0.89 7.99 -1.26 -4.89 117.00 114.43 1xn8 n LEU 2 Ca 0.00 1.14 -0.25 0.00 -0.01 0.00 0.00 56.01 56.89 1xn8 n LEU 2 Cb 0.00 -1.00 -0.05 0.00 -0.11 0.00 0.00 43.42 42.26 1xn8 n LEU 2 CO 0.00 -2.41 0.03 0.00 -1.51 0.00 0.00 177.39 173.50 1xn8 n LEU 3 N 1.82 3.35 -4.28 2.23 -0.00 -1.26 -4.99 117.00 113.88 1xn8 n LEU 3 Ca 0.17 -5.43 -0.26 0.00 -0.00 0.00 0.00 56.01 50.50 1xn8 n LEU 3 Cb 0.21 -0.29 -0.14 0.00 -0.00 0.00 0.00 43.42 43.21 1xn8 n LEU 3 CO 0.58 2.24 -0.53 0.27 -0.00 0.00 0.00 177.39 179.95 1xn8 s ILE 4 N -3.32 1.75 0.34 1.47 -4.36 -1.26 -5.15 121.20 110.68 1xn8 s ILE 4 Ca 0.44 -1.36 -0.02 0.00 -0.26 0.00 0.00 60.65 59.45 1xn8 s ILE 4 Cb 0.24 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 1xn8 s ILE 4 CO -0.09 0.13 0.58 0.42 0.24 0.00 0.00 174.94 176.21 1xn8 s THR 5 N -0.93 5.06 0.17 8.37 -4.23 -1.26 -5.00 115.64 117.82 1xn8 s THR 5 Ca 0.08 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1xn8 s THR 5 Cb -0.09 -3.82 -0.13 0.00 1.34 0.00 0.00 72.50 69.79 1xn8 s THR 5 CO 0.03 -0.52 1.39 1.55 -0.54 0.00 0.00 174.62 176.54 1xn8 h PRO 6 N 1.00 0.29 -0.83 3.99 0.13 -1.95 -3.09 132.00 131.54 1xn8 h PRO 6 Ca -0.49 -0.28 0.15 0.00 -0.87 0.00 0.00 66.00 64.51 1xn8 h PRO 6 Cb 1.21 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1xn8 h PRO 6 CO 0.63 0.97 0.54 -0.44 -0.23 0.00 0.00 178.00 179.47 1xn8 h ASP 7 N 0.18 0.54 0.08 1.44 3.32 -2.00 0.19 116.42 120.17 1xn8 h ASP 7 Ca -0.04 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 1xn8 h ASP 7 Cb 1.43 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 1xn8 h ASP 7 CO 0.13 0.27 -0.70 -0.33 -1.72 0.00 0.00 179.24 176.90 1xn8 h GLU 8 N 0.57 0.56 -0.32 3.56 4.39 -1.96 -2.03 114.58 119.35 1xn8 h GLU 8 Ca 0.41 -0.43 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1xn8 h GLU 8 Cb 0.78 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 1xn8 h GLU 8 CO -0.17 1.06 0.12 1.25 -1.16 0.00 0.00 179.01 180.11 1xn8 h LEU 9 N 0.39 0.14 -1.14 1.33 5.85 -0.61 -0.55 115.31 120.71 1xn8 h LEU 9 Ca -0.03 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1xn8 h LEU 9 Cb 1.29 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1xn8 h LEU 9 CO 0.13 0.11 -0.26 0.07 -0.34 0.00 0.00 178.44 178.16 1xn8 h LYS 10 N 0.26 0.28 -0.59 1.25 2.10 -1.23 0.91 116.57 119.54 1xn8 h LYS 10 Ca 0.14 -0.09 0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1xn8 h LYS 10 Cb 0.10 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.38 1xn8 h LYS 10 CO -0.14 0.52 0.39 1.03 -2.00 0.00 0.00 179.45 179.25 1xn8 h SER 11 N 0.25 0.65 0.10 7.07 0.87 -0.38 -2.96 113.55 119.15 1xn8 h SER 11 Ca 0.04 -0.01 -0.37 0.00 -1.23 0.00 0.00 61.79 60.22 1xn8 h SER 11 Cb 0.59 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1xn8 h SER 11 CO 0.04 0.47 -2.12 0.00 -0.53 0.00 0.00 176.83 174.68 1xn8 n TYR 12 N -4.45 0.90 -3.49 2.24 9.36 -0.51 -4.82 117.16 116.38 1xn8 n TYR 12 Ca 0.06 0.19 -0.40 0.00 3.32 0.00 0.00 57.90 61.07 1xn8 n TYR 12 Cb 0.07 -1.12 -0.10 0.00 -0.63 0.00 0.00 39.34 37.56 1xn8 n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1xn8 s SER 13 N -6.84 6.10 -0.41 2.98 0.15 0.31 -4.94 113.70 111.04 1xn8 s SER 13 Ca -0.25 -0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.03 1xn8 s SER 13 Cb 0.07 -2.16 0.36 0.00 -1.71 0.00 0.00 66.02 62.58 1xn8 s SER 13 CO 0.73 -0.27 1.90 1.33 1.20 0.00 0.00 173.24 178.12 1xn8 n VAL 14 N 5.15 2.92 -3.37 4.45 0.24 -1.25 -4.23 118.33 122.24 1xn8 n VAL 14 Ca -0.12 -1.89 -0.38 0.00 -2.04 0.00 0.00 64.34 59.92 1xn8 n VAL 14 Cb 0.50 -1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 31.75 1xn8 n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xn8 s PHE 15 N -2.51 3.73 0.19 6.34 0.40 -1.26 -4.98 117.98 119.89 1xn8 s PHE 15 Ca 0.43 1.11 -0.09 0.00 -0.60 0.00 0.00 56.93 57.78 1xn8 s PHE 15 Cb 0.34 -2.43 0.09 0.00 0.51 0.00 0.00 43.02 41.54 1xn8 s PHE 15 CO 0.02 0.55 1.68 1.49 0.70 0.00 0.00 175.22 179.66 1xn8 h GLU 16 N 4.94 1.11 -0.50 0.44 4.57 -1.98 0.30 114.58 123.46 1xn8 h GLU 16 Ca -0.49 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 57.34 1xn8 h GLU 16 Cb 1.21 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1xn8 h GLU 16 CO 0.64 1.02 0.13 1.03 -1.18 0.00 0.00 179.01 180.66 1xn8 h SER 17 N 1.03 0.70 -0.04 1.04 0.87 -1.92 1.35 113.55 116.58 1xn8 h SER 17 Ca 0.20 -0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 1xn8 h SER 17 Cb 0.46 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1xn8 h SER 17 CO 0.02 0.69 -0.70 0.58 -0.53 0.00 0.00 176.83 176.88 1xn8 h VAL 18 N 0.73 1.36 0.30 2.23 2.07 -1.68 -1.38 116.25 119.89 1xn8 h VAL 18 Ca 0.17 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1xn8 h VAL 18 Cb 0.26 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1xn8 h VAL 18 CO -0.00 0.61 -0.15 0.11 0.02 0.00 0.00 177.57 178.17 1xn8 h LYS 19 N 0.13 -0.39 -0.59 1.57 6.56 -0.05 -2.96 116.57 120.84 1xn8 h LYS 19 Ca -0.08 0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.66 1xn8 h LYS 19 Cb 1.37 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 33.09 1xn8 h LYS 19 CO 0.14 -0.06 0.40 0.00 -2.06 0.00 0.00 179.45 177.87 1xn8 h THR 20 N -0.78 0.85 -3.36 -0.16 1.03 0.17 -3.42 112.91 107.24 1xn8 h THR 20 Ca -0.04 -0.11 -0.55 0.00 -0.01 0.00 0.00 66.41 65.70 1xn8 h THR 20 Cb 0.51 0.51 0.10 0.00 -1.07 0.00 0.00 68.15 68.19 1xn8 h THR 20 CO 0.07 0.06 0.73 0.54 -0.01 0.00 0.00 175.52 176.91 1xn8 n ARG 21 N -4.46 2.47 -1.54 0.00 5.12 -0.52 -4.98 116.66 112.76 1xn8 n ARG 21 Ca 0.10 0.87 -0.29 0.00 -1.93 0.00 0.00 57.85 56.61 1xn8 n ARG 21 Cb 0.44 -2.58 0.13 0.00 -1.16 0.00 0.00 32.46 29.29 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1xn8 s PRO 22 N -1.20 1.19 0.06 5.56 0.04 -1.26 -4.85 135.00 134.54 1xn8 s PRO 22 Ca 0.60 0.31 -0.16 0.00 0.04 0.00 0.00 61.00 61.79 1xn8 s PRO 22 Cb -0.53 -1.84 -0.20 0.00 0.04 0.00 0.00 34.50 31.97 1xn8 s PRO 22 CO 0.56 -2.17 1.22 -0.44 0.04 0.00 0.00 177.00 176.21 1xn8 h ASP 23 N -1.48 0.78 -0.89 6.66 5.19 -1.95 0.28 116.42 125.01 1xn8 h ASP 23 Ca -0.50 -0.69 0.13 0.00 -0.62 0.00 0.00 57.03 55.35 1xn8 h ASP 23 Cb 1.33 -0.23 -0.07 0.00 0.18 0.00 0.00 39.33 40.54 1xn8 h ASP 23 CO 0.62 1.35 0.57 1.05 -3.12 0.00 0.00 179.24 179.71 1xn8 h GLU 24 N 0.28 0.75 0.00 3.56 4.11 -1.99 0.34 114.58 121.62 1xn8 h GLU 24 Ca -0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 1xn8 h GLU 24 Cb 1.40 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1xn8 h GLU 24 CO 0.15 0.49 -0.00 -0.07 0.07 0.00 0.00 179.01 179.65 1xn8 h LEU 25 N 0.77 -0.00 -0.82 3.06 3.38 -1.93 -3.07 115.31 116.69 1xn8 h LEU 25 Ca 0.44 -0.59 0.20 0.00 0.09 0.00 0.00 57.88 58.01 1xn8 h LEU 25 Cb 0.60 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.21 1xn8 h LEU 25 CO -0.20 0.79 0.03 -0.07 0.09 0.00 0.00 178.44 179.08 1xn8 h LEU 26 N -1.00 -0.34 0.09 1.67 3.38 -0.53 0.47 115.31 119.05 1xn8 h LEU 26 Ca -0.00 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1xn8 h LEU 26 Cb 0.60 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1xn8 h LEU 26 CO 0.00 -0.21 -0.25 0.11 0.09 0.00 0.00 178.44 178.18 1xn8 h LYS 27 N 0.10 -0.42 -0.83 1.13 1.57 -0.43 1.49 116.57 119.17 1xn8 h LYS 27 Ca 0.46 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.37 1xn8 h LYS 27 Cb 0.86 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.19 1xn8 h LYS 27 CO -0.72 -0.28 0.48 1.96 -0.57 0.00 0.00 179.45 180.32 1xn8 h GLN 28 N -0.44 0.76 0.05 3.15 4.20 -0.36 0.16 115.11 122.63 1xn8 h GLN 28 Ca 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xn8 h GLN 28 Cb 0.48 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1xn8 h GLN 28 CO -0.16 0.50 -0.02 0.22 -0.67 0.00 0.00 178.83 178.70 1xn8 h ASP 29 N 0.78 -0.06 -0.66 1.46 3.58 0.70 0.72 116.42 122.94 1xn8 h ASP 29 Ca 0.41 -0.34 0.14 0.00 0.42 0.00 0.00 57.03 57.66 1xn8 h ASP 29 Cb 0.40 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.35 1xn8 h ASP 29 CO -0.26 0.31 0.07 0.40 -2.88 0.00 0.00 179.24 176.89 1xn8 h ILE 30 N -0.43 0.51 -0.06 2.25 2.04 0.28 1.26 117.51 123.35 1xn8 h ILE 30 Ca -0.01 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1xn8 h ILE 30 Cb 0.39 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1xn8 h ILE 30 CO 0.01 0.03 -0.07 -0.07 0.00 0.00 0.00 178.15 178.06 1xn8 h LEU 31 N 0.18 0.17 -2.06 1.44 3.38 -0.61 -1.77 115.31 116.03 1xn8 h LEU 31 Ca 0.36 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.93 1xn8 h LEU 31 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xn8 h LEU 31 CO -0.52 0.63 0.28 -0.08 0.09 0.00 0.00 178.44 178.85 1xn8 h GLU 32 N -0.30 0.00 -0.01 1.13 4.57 0.20 -0.45 114.58 119.72 1xn8 h GLU 32 Ca 0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1xn8 h GLU 32 Cb 0.59 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1xn8 h GLU 32 CO 0.02 0.00 -0.32 0.00 -1.18 0.00 0.00 179.01 177.53 1xn8 h ALA 33 N 1.76 0.05 -0.50 2.92 0.00 0.17 -3.12 119.26 120.55 1xn8 h ALA 33 Ca 0.16 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 54.74 1xn8 h ALA 33 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1xn8 h ALA 33 CO -0.00 0.14 0.52 0.00 0.00 0.00 0.00 179.25 179.91 1xn8 h THR 34 N -0.39 0.35 -0.70 0.00 1.03 -0.19 0.60 112.91 113.62 1xn8 h THR 34 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.33 1xn8 h THR 34 Cb 1.05 0.59 -0.03 0.00 -1.07 0.00 0.00 68.15 68.69 1xn8 h THR 34 CO 0.06 0.00 0.32 0.00 -0.01 0.00 0.00 175.52 175.89 1xn8 h ALA 35 N 1.42 1.25 -0.15 0.00 0.00 -1.37 1.27 119.26 121.69 1xn8 h ALA 35 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xn8 h ALA 35 Cb 1.28 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xn8 h ALA 35 CO -0.00 0.57 -0.07 0.22 0.00 0.00 0.00 179.25 179.96 1xn8 h ASP 36 N 0.99 0.33 -0.36 0.00 3.58 0.09 0.79 116.42 121.84 1xn8 h ASP 36 Ca 0.24 -0.41 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 1xn8 h ASP 36 Cb 0.12 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1xn8 h ASP 36 CO -0.03 0.66 0.03 0.40 -2.88 0.00 0.00 179.24 177.42 1xn8 h ILE 37 N -0.01 1.25 -0.51 2.25 2.04 -1.19 0.58 117.51 121.91 1xn8 h ILE 37 Ca 0.03 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1xn8 h ILE 37 Cb 0.54 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1xn8 h ILE 37 CO 0.02 0.30 0.33 0.40 0.00 0.00 0.00 178.15 179.20 1xn8 h ILE 38 N 0.44 1.14 0.04 -0.67 2.04 0.17 0.12 117.51 120.79 1xn8 h ILE 38 Ca 0.11 -0.27 -0.26 0.00 1.00 0.00 0.00 64.86 65.44 1xn8 h ILE 38 Cb 0.41 0.40 0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1xn8 h ILE 38 CO 0.01 0.14 -1.08 -0.07 0.00 0.00 0.00 178.15 177.15 1xn8 h LEU 39 N 0.69 0.73 -0.57 1.44 3.38 -0.35 1.34 115.31 121.98 1xn8 h LEU 39 Ca 0.19 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1xn8 h LEU 39 Cb -0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1xn8 h LEU 39 CO -0.04 1.43 0.37 0.11 0.09 0.00 0.00 178.44 180.41 1xn8 h LYS 40 N 0.28 0.75 0.00 1.13 1.57 0.12 -2.20 116.57 118.21 1xn8 h LYS 40 Ca -0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1xn8 h LYS 40 Cb 1.74 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.88 1xn8 h LYS 40 CO 0.20 0.50 -0.88 -0.39 -0.57 0.00 0.00 179.45 178.31 1xn8 h VAL 41 N 0.77 0.04 -2.83 0.50 -1.51 -0.82 -3.43 116.25 108.97 1xn8 h VAL 41 Ca 0.21 -1.08 -0.25 0.00 -1.23 0.00 0.00 66.70 64.35 1xn8 h VAL 41 Cb -0.09 1.62 0.03 0.00 -2.13 0.00 0.00 31.29 30.73 1xn8 h VAL 41 CO -0.04 0.03 -0.37 0.61 -1.23 0.00 0.00 177.57 176.56 1xn8 n GLY 42 N 1.18 -0.06 3.05 5.19 0.00 0.43 -3.88 105.19 111.10 1xn8 n GLY 42 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1xn8 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xn8 s HIS 43 N -2.90 -0.35 -0.24 1.61 3.76 0.51 -4.98 115.29 112.70 1xn8 s HIS 43 Ca 0.17 0.83 -0.09 0.00 -0.15 0.00 0.00 55.06 55.83 1xn8 s HIS 43 Cb -0.07 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.61 1xn8 s HIS 43 CO 0.21 -0.26 0.12 -0.51 -0.85 0.00 0.00 174.74 173.44 1xn8 s ASP 44 N 1.50 5.66 -0.84 1.40 1.11 -1.26 -4.53 116.67 119.71 1xn8 s ASP 44 Ca -0.07 -0.03 -0.25 0.00 0.18 0.00 0.00 52.55 52.38 1xn8 s ASP 44 Cb -0.11 -2.02 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 1xn8 s ASP 44 CO -0.09 0.03 1.90 -0.36 1.18 0.00 0.00 175.17 177.83 1xn8 s PHE 45 N 1.25 1.81 -0.03 4.23 0.08 -1.26 -4.65 117.98 119.41 1xn8 s PHE 45 Ca 0.06 0.59 -0.05 0.00 0.12 0.00 0.00 56.93 57.65 1xn8 s PHE 45 Cb -0.14 -4.09 -0.02 0.00 -0.57 0.00 0.00 43.02 38.20 1xn8 s PHE 45 CO 0.05 -1.88 -0.10 0.45 -0.10 0.00 0.00 175.22 173.64 1xn8 n SER 46 N 13.44 0.80 -4.31 1.36 2.88 -1.26 -0.34 113.62 126.19 1xn8 n SER 46 Ca 0.35 0.13 -0.57 0.00 -1.33 0.00 0.00 58.87 57.45 1xn8 n SER 46 Cb 0.48 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xn8 n ASP 47 N -3.28 1.17 0.27 -3.46 9.92 -1.26 -4.70 116.55 115.21 1xn8 n ASP 47 Ca -0.04 0.60 0.16 0.00 -0.53 0.00 0.00 54.79 54.98 1xn8 n ASP 47 Cb 0.15 -1.01 0.87 0.00 -0.64 0.00 0.00 41.12 40.49 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 10.06 1.09 -0.23 2.24 0.00 -2.00 0.59 119.26 131.00 1xn8 h ALA 48 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xn8 h ALA 48 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1xn8 h ALA 48 CO 1.07 -0.09 0.00 -0.85 0.00 0.00 0.00 179.25 179.38 1xn8 n GLU 49 N -2.70 1.90 -2.72 0.00 0.00 -1.26 -4.18 120.64 111.69 1xn8 n GLU 49 Ca -0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 57.16 56.09 1xn8 n GLU 49 Cb 0.15 -1.44 0.07 0.00 0.00 0.00 0.00 31.44 30.22 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 0.23 -2.40 -3.57 -1.84 9.36 0.21 -5.06 117.16 114.09 1xn8 n TYR 50 Ca 0.09 -1.53 -0.27 0.00 3.32 0.00 0.00 57.90 59.51 1xn8 n TYR 50 Cb 0.37 1.45 -0.10 0.00 -0.63 0.00 0.00 39.34 40.43 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 1.21 1.28 -2.54 2.97 5.41 -1.23 -4.61 119.36 121.84 1xn8 n ILE 51 Ca 0.05 -4.72 -0.34 0.00 1.00 0.00 0.00 62.75 58.74 1xn8 n ILE 51 Cb 0.67 -2.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.51 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 -1.63 3.84 -0.44 0.38 0.04 -1.26 -5.02 135.00 130.90 1xn8 s PRO 52 Ca 0.33 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.82 1xn8 s PRO 52 Cb 0.07 -2.15 0.23 0.00 0.04 0.00 0.00 34.50 32.69 1xn8 s PRO 52 CO -0.11 -0.40 0.64 -0.11 0.04 0.00 0.00 177.00 177.07 1xn8 n LEU 53 N -0.86 -1.38 0.00 -3.56 7.94 -1.26 -5.07 117.00 112.82 1xn8 n LEU 53 Ca 0.09 -3.98 -0.03 0.00 -1.11 0.00 0.00 56.01 50.98 1xn8 n LEU 53 Cb 0.52 0.71 0.02 0.00 0.53 0.00 0.00 43.42 45.20 1xn8 n LEU 53 CO 0.40 2.00 0.07 -0.81 -1.11 0.00 0.00 177.39 177.94 1xn8 n PRO 54 N 1.87 -0.67 0.01 1.96 -0.04 -1.26 -4.81 135.00 132.07 1xn8 n PRO 54 Ca 0.18 -0.18 -0.18 0.00 -0.04 0.00 0.00 63.50 63.27 1xn8 n PRO 54 Cb 0.56 -0.14 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.62 0.02 0.54 4.57 -2.00 -2.13 114.58 116.20 1xn8 h GLU 55 Ca -0.04 -0.61 0.03 0.00 -1.18 0.00 0.00 59.36 57.56 1xn8 h GLU 55 Cb 0.12 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 1xn8 h GLU 55 CO 0.03 1.22 -0.33 1.79 -1.18 0.00 0.00 179.01 180.53 1xn8 h THR 56 N 0.26 0.29 0.52 0.32 1.35 -1.94 0.98 112.91 114.69 1xn8 h THR 56 Ca -0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 1xn8 h THR 56 Cb 1.46 0.29 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1xn8 h THR 56 CO 0.16 0.00 -0.25 0.58 -0.25 0.00 0.00 175.52 175.76 1xn8 h VAL 57 N -0.50 0.48 -0.80 6.82 2.07 -1.83 1.15 116.25 123.65 1xn8 h VAL 57 Ca 0.06 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 67.73 1xn8 h VAL 57 Cb 0.57 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 1xn8 h VAL 57 CO -0.26 0.00 0.28 0.03 0.02 0.00 0.00 177.57 177.64 1xn8 h ARG 58 N -0.72 0.35 0.01 1.57 3.08 -1.06 1.11 114.38 118.73 1xn8 h ARG 58 Ca -0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1xn8 h ARG 58 Cb 0.55 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1xn8 h ARG 58 CO 0.12 0.23 -0.01 1.25 -1.07 0.00 0.00 179.97 180.49 1xn8 h LEU 59 N 0.36 -0.01 -0.66 3.04 5.85 0.14 0.49 115.31 124.52 1xn8 h LEU 59 Ca 0.46 -0.49 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1xn8 h LEU 59 Cb 0.80 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 1xn8 h LEU 59 CO -0.49 0.49 0.23 0.00 -0.34 0.00 0.00 178.44 178.33 1xn8 h ALA 60 N 0.46 0.87 -0.28 1.25 0.00 0.28 1.14 119.26 122.98 1xn8 h ALA 60 Ca -0.00 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1xn8 h ALA 60 Cb 0.50 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xn8 h ALA 60 CO 0.00 -0.22 -0.32 1.25 0.00 0.00 0.00 179.25 179.96 1xn8 h LEU 61 N 0.39 0.78 -0.96 0.00 7.12 0.13 -0.48 115.31 122.28 1xn8 h LEU 61 Ca 0.35 -0.49 0.03 0.00 0.13 0.00 0.00 57.88 57.90 1xn8 h LEU 61 Cb 0.48 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 40.34 1xn8 h LEU 61 CO -0.36 1.11 0.63 -0.07 -0.13 0.00 0.00 178.44 179.62 1xn8 h LEU 62 N 0.46 1.07 -0.21 2.25 3.38 0.17 1.23 115.31 123.67 1xn8 h LEU 62 Ca 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1xn8 h LEU 62 Cb 0.90 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1xn8 h LEU 62 CO 0.08 0.75 -0.05 0.11 0.09 0.00 0.00 178.44 179.41 1xn8 h LYS 63 N 1.25 0.41 -0.60 1.13 1.57 0.14 -0.68 116.57 119.80 1xn8 h LYS 63 Ca 0.37 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1xn8 h LYS 63 Cb -0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1xn8 h LYS 63 CO -0.11 0.65 0.20 -0.07 -0.57 0.00 0.00 179.45 179.56 1xn8 h LEU 64 N 0.13 0.86 -0.33 2.94 3.38 -0.38 0.44 115.31 122.36 1xn8 h LEU 64 Ca 0.05 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xn8 h LEU 64 Cb 0.51 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1xn8 h LEU 64 CO 0.02 0.83 0.15 0.28 0.09 0.00 0.00 178.44 179.82 1xn8 h SER 65 N 0.84 0.22 -0.39 -0.43 0.02 0.16 0.36 113.55 114.33 1xn8 h SER 65 Ca 0.19 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1xn8 h SER 65 Cb 0.27 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1xn8 h SER 65 CO -0.01 0.16 -0.17 -0.61 -1.14 0.00 0.00 176.83 175.07 1xn8 h GLN 66 N 0.32 0.81 0.32 3.45 4.15 -0.82 0.50 115.11 123.83 1xn8 h GLN 66 Ca 0.14 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 1xn8 h GLN 66 Cb 0.06 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1xn8 h GLN 66 CO -0.11 0.97 -0.20 0.35 -1.93 0.00 0.00 178.83 177.91 1xn8 h PHE 67 N 0.61 -0.52 0.15 3.99 3.57 0.35 0.20 116.94 125.29 1xn8 h PHE 67 Ca 0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1xn8 h PHE 67 Cb 0.71 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1xn8 h PHE 67 CO 0.06 -0.31 -0.07 1.88 -2.23 0.00 0.00 178.31 177.64 1xn8 h TYR 68 N -0.50 -0.19 -0.49 0.41 0.05 -0.31 -2.63 116.97 113.32 1xn8 h TYR 68 Ca -0.03 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.89 1xn8 h TYR 68 Cb 0.41 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1xn8 h TYR 68 CO -0.09 0.22 0.47 0.00 -1.05 0.00 0.00 178.16 177.71 1xn8 h ALA 69 N 0.07 2.25 -1.96 3.88 0.00 0.00 1.07 119.26 124.58 1xn8 h ALA 69 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xn8 h ALA 69 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xn8 h ALA 69 CO 0.03 -0.72 0.00 -0.11 0.00 0.00 0.00 179.25 178.45 1xn8 n LEU 70 N -3.84 0.98 0.09 0.00 7.94 0.69 -3.47 117.00 119.39 1xn8 n LEU 70 Ca 0.09 0.42 0.20 0.00 -1.11 0.00 0.00 56.01 55.62 1xn8 n LEU 70 Cb 0.67 -0.17 0.74 0.00 0.53 0.00 0.00 43.42 45.18 1xn8 n LEU 70 CO 0.30 -0.17 1.18 0.16 -1.11 0.00 0.00 177.39 177.74 1xn8 h ILE 71 N 0.00 0.34 -1.02 1.96 3.07 -1.17 0.22 117.51 120.92 1xn8 h ILE 71 Ca 0.00 0.00 0.25 0.00 1.55 0.00 0.00 64.86 66.66 1xn8 h ILE 71 Cb 0.00 0.62 -0.11 0.00 -0.27 0.00 0.00 36.82 37.07 1xn8 h ILE 71 CO 0.00 0.00 0.63 0.78 -1.05 0.00 0.00 178.15 178.51 1xn8 h ASN 72 N 0.00 0.58 0.00 2.16 2.35 0.12 -3.39 115.58 117.39 1xn8 h ASN 72 Ca 0.20 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1xn8 h ASN 72 Cb 1.12 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1xn8 h ASN 72 CO -0.00 0.12 0.00 0.61 -1.65 0.00 0.00 177.43 176.51 1xn8 n GLY 73 N -1.39 1.88 2.91 2.83 0.00 0.78 -4.82 105.19 107.38 1xn8 n GLY 73 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -6.37 -2.36 1.61 -0.08 -1.19 0.52 116.55 108.68 1xn8 n ASP 74 Ca 0.00 1.01 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1xn8 n ASP 74 Cb 0.00 -3.57 0.00 0.00 2.34 0.00 0.00 41.12 39.89 1xn8 n ASP 74 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xn8 n GLU 75 N 1.29 -2.82 -3.18 -0.67 4.07 -1.26 0.14 120.64 118.21 1xn8 n GLU 75 Ca -0.06 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.95 1xn8 n GLU 75 Cb 0.27 -4.38 0.04 0.00 -0.06 0.00 0.00 31.44 27.31 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1xn8 n SER 76 N -1.30 -7.10 -4.06 4.31 2.88 -0.88 -4.91 113.62 102.56 1xn8 n SER 76 Ca 0.00 -0.45 -0.36 0.00 -1.33 0.00 0.00 58.87 56.73 1xn8 n SER 76 Cb 0.46 -5.20 0.05 0.00 -0.75 0.00 0.00 64.21 58.76 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 -2.64 0.00 -0.53 2.46 5.41 0.18 -4.87 119.36 119.38 1xn8 n ILE 77 Ca -0.04 -0.34 -0.17 0.00 1.00 0.00 0.00 62.75 63.20 1xn8 n ILE 77 Cb 0.57 -0.10 0.14 0.00 -0.71 0.00 0.00 39.64 39.54 1xn8 n ILE 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xn8 n ILE 78 N -2.95 0.00 -0.73 1.39 3.06 -1.25 -4.38 119.36 114.49 1xn8 n ILE 78 Ca -0.01 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1xn8 n ILE 78 Cb 0.60 -0.47 0.00 0.00 0.54 0.00 0.00 39.64 40.31 1xn8 n ILE 78 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1xn8 n LYS 79 N -1.64 0.00 -1.00 9.51 2.85 -1.26 -4.69 118.16 121.93 1xn8 n LYS 79 Ca 0.06 0.11 -0.22 0.00 -1.05 0.00 0.00 58.31 57.21 1xn8 n LYS 79 Cb 0.33 -1.75 -0.12 0.00 -0.65 0.00 0.00 35.03 32.84 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 -1.66 -0.33 2.04 2.58 0.00 -1.26 -4.49 105.19 102.07 1xn8 n GLY 80 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 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 5.50 -1.11 -1.86 1.61 4.11 -1.26 -5.15 117.16 119.00 1xn8 n TYR 81 Ca 0.45 -0.95 0.00 0.00 -0.00 0.00 0.00 57.90 57.40 1xn8 n TYR 81 Cb 0.05 1.08 0.00 0.00 -0.00 0.00 0.00 39.34 40.47 1xn8 n TYR 81 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1xn8 n THR 82 N -0.83 0.00 -3.04 -3.48 5.66 -1.26 -4.86 114.28 106.47 1xn8 n THR 82 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1xn8 n THR 82 Cb 0.70 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 1xn8 n THR 82 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1xn8 n THR 83 N 0.00 0.00 -0.88 1.09 5.66 -1.26 -4.82 114.28 114.07 1xn8 n THR 83 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1xn8 n THR 83 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1xn8 n THR 83 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1xn8 n GLU 84 N 0.00 -0.43 -3.48 1.09 2.13 -1.26 -4.91 120.64 113.77 1xn8 n GLU 84 Ca 0.00 0.11 -0.24 0.00 0.66 0.00 0.00 57.16 57.69 1xn8 n GLU 84 Cb 0.00 -3.65 -0.13 0.00 0.27 0.00 0.00 31.44 27.93 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 -0.67 0.24 0.00 5.31 -2.85 -1.26 -5.13 119.74 115.38 1xn8 s LYS 85 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1xn8 s LYS 85 Cb 0.00 -0.99 0.00 0.00 -2.06 0.00 0.00 37.83 34.78 1xn8 s LYS 85 CO 0.00 -0.99 0.00 -0.89 0.10 0.00 0.00 175.35 173.57 1xn8 n ILE 86 N 5.28 0.00 0.00 3.79 2.08 -1.26 -5.06 119.36 124.19 1xn8 n ILE 86 Ca -0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1xn8 n ILE 86 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 1xn8 n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1xn8 n GLY 87 N 5.00 1.81 3.51 7.39 0.00 -1.26 -4.96 105.19 116.68 1xn8 n GLY 87 Ca 0.00 -1.73 -0.59 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.12 0.11 0.00 1.61 8.00 -1.26 -4.82 116.55 120.07 1xn8 n ASP 88 Ca 0.00 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.66 1xn8 n ASP 88 Cb 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1xn8 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xn8 n TYR 89 N 1.62 0.00 -3.57 1.24 9.36 -1.26 -5.15 117.16 119.39 1xn8 n TYR 89 Ca 0.20 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 61.08 1xn8 n TYR 89 Cb 0.08 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.74 1xn8 n TYR 89 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1xn8 s SER 90 N 2.00 6.62 -0.32 2.98 0.01 -1.26 -4.99 113.70 118.74 1xn8 s SER 90 Ca 0.00 0.78 0.16 0.00 1.31 0.00 0.00 55.95 58.19 1xn8 s SER 90 Cb 0.00 -2.17 0.44 0.00 0.21 0.00 0.00 66.02 64.49 1xn8 s SER 90 CO 0.00 0.13 1.44 -1.22 0.41 0.00 0.00 173.24 173.99 1xn8 n TYR 91 N 0.67 -1.22 -0.91 2.43 4.01 -1.26 -4.63 117.16 116.25 1xn8 n TYR 91 Ca -0.06 -1.83 -0.37 0.00 -0.16 0.00 0.00 57.90 55.48 1xn8 n TYR 91 Cb 0.52 1.11 0.07 0.00 -0.31 0.00 0.00 39.34 40.73 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 -1.31 0.00 -2.25 -0.72 -1.04 -1.26 -4.17 114.28 103.53 1xn8 n THR 92 Ca -0.11 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1xn8 n THR 92 Cb 0.86 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 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 2.02 0.00 -0.27 -4.42 4.77 -0.88 -3.88 117.00 114.34 1xn8 n LEU 93 Ca -0.01 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.21 1xn8 n LEU 93 Cb 0.68 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.18 1xn8 n LEU 93 CO 0.47 0.00 0.74 0.61 -1.33 0.00 0.00 177.39 177.88 1xn8 n GLY 94 N 5.00 -0.51 0.00 -0.72 0.00 -1.26 -4.22 105.19 103.48 1xn8 n GLY 94 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1xn8 n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn8 n ASP 95 N -4.07 0.00 0.00 1.61 8.00 -1.26 -5.05 116.55 115.78 1xn8 n ASP 95 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1xn8 n ASP 95 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 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 0.00 -0.24 3.12 0.44 0.00 -1.26 -5.13 105.19 102.12 1xn8 n GLY 96 Ca 0.00 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1xn8 n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xn8 n SER 97 N 0.00 -4.86 -3.18 1.61 2.88 -1.26 -4.68 113.62 104.13 1xn8 n SER 97 Ca 0.00 0.27 -0.20 0.00 -1.33 0.00 0.00 58.87 57.61 1xn8 n SER 97 Cb 0.00 -0.88 -0.04 0.00 -0.75 0.00 0.00 64.21 62.54 1xn8 n SER 97 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xn8 n SER 98 N 2.30 1.00 -4.43 -3.46 7.64 -1.26 -2.07 113.62 113.34 1xn8 n SER 98 Ca 0.01 -2.99 -0.60 0.00 1.01 0.00 0.00 58.87 56.30 1xn8 n SER 98 Cb 0.54 -0.62 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.54 0.43 0.00 -3.43 7.94 -1.26 -4.92 117.00 116.30 1xn8 n LEU 99 Ca 0.25 1.13 -0.12 0.00 -1.11 0.00 0.00 56.01 56.15 1xn8 n LEU 99 Cb 0.60 -0.87 -0.03 0.00 0.53 0.00 0.00 43.42 43.65 1xn8 n LEU 99 CO 0.22 -1.45 -0.08 0.00 -1.11 0.00 0.00 177.39 174.96 1xn8 n GLN 100 N 2.35 0.77 -1.56 1.96 1.13 -1.26 -4.73 117.38 116.03 1xn8 n GLN 100 Ca 0.23 -1.67 -0.54 0.00 -1.94 0.00 0.00 57.00 53.09 1xn8 n GLN 100 Cb 0.03 0.90 -0.06 0.00 0.11 0.00 0.00 30.24 31.22 1xn8 n GLN 100 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1xn8 n LYS 101 N -0.44 0.83 -1.55 -1.09 4.01 -1.26 -4.92 118.16 113.73 1xn8 n LYS 101 Ca -0.03 0.30 -0.30 0.00 -0.51 0.00 0.00 58.31 57.77 1xn8 n LYS 101 Cb 0.30 -1.90 0.10 0.00 -0.51 0.00 0.00 35.03 33.02 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1xn8 s PRO 102 N 0.34 1.89 -1.50 1.97 0.04 -1.26 -4.92 135.00 131.56 1xn8 s PRO 102 Ca 0.86 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1xn8 s PRO 102 Cb -1.04 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 31.60 1xn8 s PRO 102 CO 0.50 -1.74 2.55 -0.25 0.04 0.00 0.00 177.00 178.09 1xn8 n ASP 103 N -3.50 6.79 -0.12 6.66 9.92 -1.26 -4.24 116.55 130.79 1xn8 n ASP 103 Ca 0.07 -2.79 0.08 0.00 -0.53 0.00 0.00 54.79 51.61 1xn8 n ASP 103 Cb 0.57 -1.55 -0.06 0.00 -0.64 0.00 0.00 41.12 39.44 1xn8 n ASP 103 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1xn8 n VAL 104 N 3.76 0.00 -0.09 2.53 0.24 -1.26 -4.40 118.33 119.10 1xn8 n VAL 104 Ca 0.64 -0.20 0.05 0.00 -2.04 0.00 0.00 64.34 62.80 1xn8 n VAL 104 Cb 0.30 1.06 0.39 0.00 -1.47 0.00 0.00 33.84 34.12 1xn8 n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1xn8 h TYR 105 N 0.61 0.64 0.00 6.34 5.03 -1.98 0.13 116.97 127.73 1xn8 h TYR 105 Ca 0.00 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 1xn8 h TYR 105 Cb 0.43 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1xn8 h TYR 105 CO 0.00 0.37 -0.37 0.00 -1.32 0.00 0.00 178.16 176.85 1xn8 h ALA 106 N 1.67 1.06 0.06 1.82 0.00 -1.94 0.17 119.26 122.10 1xn8 h ALA 106 Ca 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xn8 h ALA 106 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xn8 h ALA 106 CO -0.06 0.46 -0.03 -0.07 0.00 0.00 0.00 179.25 179.55 1xn8 h LEU 107 N 0.00 -0.07 -0.96 0.00 3.38 -1.08 -3.12 115.31 113.46 1xn8 h LEU 107 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1xn8 h LEU 107 Cb 0.84 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1xn8 h LEU 107 CO 0.05 0.57 0.00 0.16 0.09 0.00 0.00 178.44 179.31 1xn8 h ILE 108 N -0.78 0.00 -1.02 1.22 3.07 -1.05 -2.92 117.51 116.03 1xn8 h ILE 108 Ca -0.01 -0.34 0.25 0.00 1.55 0.00 0.00 64.86 66.30 1xn8 h ILE 108 Cb 0.62 1.18 -0.11 0.00 -0.27 0.00 0.00 36.82 38.24 1xn8 h ILE 108 CO 0.01 0.00 0.63 0.50 -1.05 0.00 0.00 178.15 178.24 1xn8 h LYS 109 N 0.00 0.51 -0.44 0.16 3.11 -0.58 1.51 116.57 120.85 1xn8 h LYS 109 Ca 0.00 -0.03 0.13 0.00 -2.81 0.00 0.00 60.65 57.94 1xn8 h LYS 109 Cb 0.43 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 1xn8 h LYS 109 CO 0.00 0.34 0.38 -0.44 -2.81 0.00 0.00 179.45 176.92 1xn8 h ASP 110 N 0.53 0.00 -0.85 4.20 3.32 -1.66 -0.97 116.42 120.99 1xn8 h ASP 110 Ca 0.61 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 57.20 1xn8 h ASP 110 Cb 1.29 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.43 1xn8 h ASP 110 CO -0.38 0.00 -0.92 -1.22 -1.72 0.00 0.00 179.24 175.00 1xn8 n TYR 111 N -4.06 2.32 -4.00 4.55 4.02 0.51 -5.06 117.16 115.45 1xn8 n TYR 111 Ca 0.08 -2.45 -0.36 0.00 -0.01 0.00 0.00 57.90 55.16 1xn8 n TYR 111 Cb 0.57 -0.27 -0.07 0.00 -0.02 0.00 0.00 39.34 39.56 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1xn8 s VAL 112 N -4.42 5.22 -0.96 -0.72 1.01 -0.37 -4.78 120.40 115.38 1xn8 s VAL 112 Ca 0.42 0.09 -0.32 0.00 0.00 0.00 0.00 61.98 62.16 1xn8 s VAL 112 Cb 0.39 -3.26 -0.22 0.00 0.00 0.00 0.00 36.38 33.29 1xn8 s VAL 112 CO -0.03 0.61 2.66 2.29 0.00 0.00 0.00 175.10 180.63 1xn8 n LYS 113 N 1.98 0.02 -1.26 2.72 2.85 -1.25 -4.86 118.16 118.36 1xn8 n LYS 113 Ca -0.19 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.81 1xn8 n LYS 113 Cb 0.55 -1.53 0.19 0.00 -0.65 0.00 0.00 35.03 33.59 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 8.44 -1.96 -3.16 -1.58 -0.04 -1.26 -4.99 135.00 130.45 1xn8 n PRO 114 Ca 0.65 -1.63 -0.36 0.00 -0.04 0.00 0.00 63.50 62.12 1xn8 n PRO 114 Cb 0.03 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 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 -4.16 4.75 -2.40 0.55 0.00 -1.26 -5.02 120.51 112.97 1xn8 n ALA 115 Ca -0.18 -4.79 -0.31 0.00 0.00 0.00 0.00 53.44 48.16 1xn8 n ALA 115 Cb 0.50 -1.74 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.10 3.50 0.20 0.00 -1.08 -1.26 -5.14 116.67 110.78 1xn8 s ASP 116 Ca 0.35 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1xn8 s ASP 116 Cb 0.10 -0.47 0.00 0.00 -1.46 0.00 0.00 42.92 41.09 1xn8 s ASP 116 CO 0.05 0.27 0.00 -0.81 0.52 0.00 0.00 175.17 175.20 1xn8 n PRO 117 N 1.74 0.70 -0.71 4.34 -0.04 -1.26 -4.91 135.00 134.87 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 -0.60 3.68 0.14 3.54 -0.08 -1.26 -4.13 116.55 117.85 1xn8 n ASP 118 Ca 0.00 -2.87 -0.01 0.00 -1.51 0.00 0.00 54.79 50.40 1xn8 n ASP 118 Cb 0.00 -0.68 0.17 0.00 2.34 0.00 0.00 41.12 42.95 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1xn8 h LEU 119 N 1.57 0.00 -0.69 -2.67 8.10 -2.03 -3.49 115.31 116.09 1xn8 h LEU 119 Ca 0.26 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.41 1xn8 h LEU 119 Cb 1.93 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 42.06 1xn8 h LEU 119 CO 0.57 0.61 -1.08 1.21 -4.11 0.00 0.00 178.44 175.63 1xn8 n GLU 120 N -3.73 -3.60 -1.55 0.17 2.13 -1.26 -4.28 120.64 108.52 1xn8 n GLU 120 Ca -0.01 2.86 -0.14 0.00 0.66 0.00 0.00 57.16 60.54 1xn8 n GLU 120 Cb 0.62 -3.84 -0.09 0.00 0.27 0.00 0.00 31.44 28.41 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 -3.44 -0.24 3.21 8.31 0.00 -1.26 -4.85 105.19 106.93 1xn8 n GLY 121 Ca -0.05 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 13.95 1.18 0.00 -0.61 1.01 -1.26 -4.71 121.20 130.76 1xn8 s ILE 122 Ca 0.92 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1xn8 s ILE 122 Cb -0.17 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1xn8 s ILE 122 CO 0.14 -0.46 0.00 -0.62 0.00 0.00 0.00 174.94 174.00 1xn8 n GLU 123 N 0.58 -1.32 -0.09 2.79 1.02 -1.26 -4.77 120.64 117.59 1xn8 n GLU 123 Ca -0.16 0.33 -0.17 0.00 -0.02 0.00 0.00 57.16 57.15 1xn8 n GLU 123 Cb 0.57 -4.38 -0.13 0.00 -0.02 0.00 0.00 31.44 27.48 1xn8 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xn8 n ALA 124 N 1.00 1.35 0.20 0.62 0.00 -1.26 -3.51 120.51 118.90 1xn8 n ALA 124 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 53.44 52.50 1xn8 n ALA 124 Cb 0.33 -0.28 0.16 0.00 0.00 0.00 0.00 19.45 19.66 1xn8 n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xn8 h LYS 125 N 0.01 0.00 0.14 0.00 3.64 -1.88 -2.92 116.57 115.56 1xn8 h LYS 125 Ca -0.52 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1xn8 h LYS 125 Cb 2.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1xn8 h LYS 125 CO -0.02 0.18 -0.07 0.28 -2.27 0.00 0.00 179.45 177.55 1xn8 h VAL 126 N 0.00 0.74 -0.10 2.00 2.07 -1.95 -0.78 116.25 118.24 1xn8 h VAL 126 Ca -0.00 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1xn8 h VAL 126 Cb 1.09 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1xn8 h VAL 126 CO 0.02 0.21 0.15 0.08 0.02 0.00 0.00 177.57 178.05 1xn8 h ARG 127 N -0.93 0.00 0.00 1.57 0.11 -1.63 0.13 114.38 113.62 1xn8 h ARG 127 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1xn8 h ARG 127 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1xn8 h ARG 127 CO 0.03 0.00 -0.01 1.98 0.10 0.00 0.00 179.97 182.07 1xn8 h MET 128 N 0.00 0.00 -0.97 0.08 4.05 -1.49 -2.46 114.93 114.14 1xn8 h MET 128 Ca 0.05 0.00 0.24 0.00 -0.28 0.00 0.00 59.70 59.71 1xn8 h MET 128 Cb 0.35 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.07 1xn8 h MET 128 CO -0.00 0.00 0.65 0.07 0.23 0.00 0.00 176.91 177.86 1xn8 h ARG 129 N -0.44 0.32 -1.56 0.39 0.11 -0.95 0.11 114.38 112.37 1xn8 h ARG 129 Ca 0.00 -0.02 -0.65 0.00 0.10 0.00 0.00 59.98 59.41 1xn8 h ARG 129 Cb 0.01 -0.07 -0.36 0.00 1.11 0.00 0.00 29.97 30.65 1xn8 h ARG 129 CO 0.00 0.21 -0.05 0.43 0.10 0.00 0.00 179.97 180.67 1xn8 n SER 130 N -4.50 5.86 -0.42 0.08 7.64 0.42 -5.09 113.62 117.61 1xn8 n SER 130 Ca 0.22 -3.77 0.14 0.00 1.01 0.00 0.00 58.87 56.47 1xn8 n SER 130 Cb 0.83 -0.68 0.58 0.00 -1.01 0.00 0.00 64.21 63.93 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03