#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 -2.50 -3.36 3.17 7.99 -1.26 -4.90 117.00 116.13 1xn8 n LEU 2 Ca 0.00 0.80 -0.27 0.00 -0.01 0.00 0.00 56.01 56.53 1xn8 n LEU 2 Cb 0.00 -0.92 -0.08 0.00 -0.11 0.00 0.00 43.42 42.32 1xn8 n LEU 2 CO 0.00 -4.08 0.08 0.18 -1.51 0.00 0.00 177.39 172.06 1xn8 n LEU 3 N 2.17 3.75 -3.56 2.23 4.32 -1.26 -4.98 117.00 119.67 1xn8 n LEU 3 Ca 0.11 -5.45 -0.24 0.00 -0.02 0.00 0.00 56.01 50.40 1xn8 n LEU 3 Cb 0.41 -0.62 -0.15 0.00 -1.62 0.00 0.00 43.42 41.44 1xn8 n LEU 3 CO 0.54 2.09 -0.29 0.27 -1.22 0.00 0.00 177.39 178.78 1xn8 s ILE 4 N -2.67 -0.15 0.92 -0.08 -5.25 -1.26 -5.12 121.20 107.59 1xn8 s ILE 4 Ca 0.41 -0.30 -0.10 0.00 -0.99 0.00 0.00 60.65 59.66 1xn8 s ILE 4 Cb 0.17 -0.71 0.15 0.00 2.95 0.00 0.00 42.46 45.01 1xn8 s ILE 4 CO -0.03 -0.38 1.12 0.42 -1.79 0.00 0.00 174.94 174.29 1xn8 s THR 5 N 2.18 2.25 0.11 8.37 -4.23 -1.26 -4.90 115.64 118.17 1xn8 s THR 5 Ca 0.05 0.08 0.15 0.00 -1.18 0.00 0.00 61.69 60.79 1xn8 s THR 5 Cb -0.16 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.53 1xn8 s THR 5 CO -0.17 -0.11 1.58 1.55 -0.54 0.00 0.00 174.62 176.93 1xn8 h PRO 6 N -1.85 0.00 -0.27 3.99 0.13 -1.93 -2.83 132.00 129.24 1xn8 h PRO 6 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1xn8 h PRO 6 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1xn8 h PRO 6 CO 0.44 0.54 -0.16 -0.44 -0.23 0.00 0.00 178.00 178.15 1xn8 h ASP 7 N 0.00 0.46 0.60 1.44 3.32 -1.99 -2.28 116.42 117.97 1xn8 h ASP 7 Ca -0.01 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.73 1xn8 h ASP 7 Cb 1.17 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1xn8 h ASP 7 CO 0.07 0.64 -0.83 -0.33 -1.72 0.00 0.00 179.24 177.07 1xn8 h GLU 8 N 0.43 0.16 0.10 3.56 4.39 -1.90 -2.02 114.58 119.30 1xn8 h GLU 8 Ca 0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1xn8 h GLU 8 Cb 0.53 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1xn8 h GLU 8 CO 0.03 0.90 -0.05 1.25 -1.16 0.00 0.00 179.01 179.99 1xn8 h LEU 9 N 0.09 -0.12 -1.14 1.33 5.85 -1.18 -2.06 115.31 118.08 1xn8 h LEU 9 Ca -0.03 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1xn8 h LEU 9 Cb 1.44 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1xn8 h LEU 9 CO 0.12 -0.07 -0.25 0.07 -0.34 0.00 0.00 178.44 177.97 1xn8 h LYS 10 N -0.16 0.29 -0.87 1.25 2.10 -1.46 0.53 116.57 118.25 1xn8 h LYS 10 Ca -0.01 -0.10 0.15 0.00 -2.00 0.00 0.00 60.65 58.69 1xn8 h LYS 10 Cb 0.12 -0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 31.33 1xn8 h LYS 10 CO 0.02 0.53 0.46 1.03 -2.00 0.00 0.00 179.45 179.49 1xn8 h SER 11 N 0.26 0.56 0.05 7.07 0.87 -0.68 -2.93 113.55 118.75 1xn8 h SER 11 Ca 0.04 0.09 -0.32 0.00 -1.23 0.00 0.00 61.79 60.37 1xn8 h SER 11 Cb 0.59 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 1xn8 h SER 11 CO 0.04 0.23 -1.77 0.00 -0.53 0.00 0.00 176.83 174.80 1xn8 n TYR 12 N -4.85 0.92 -2.63 2.24 9.36 -0.92 -4.86 117.16 116.42 1xn8 n TYR 12 Ca 0.18 0.29 -0.43 0.00 3.32 0.00 0.00 57.90 61.26 1xn8 n TYR 12 Cb 0.45 -1.11 -0.02 0.00 -0.63 0.00 0.00 39.34 38.03 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 -6.97 7.14 -0.63 2.98 0.15 0.18 -4.92 113.70 111.62 1xn8 s SER 13 Ca -0.28 1.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.86 1xn8 s SER 13 Cb 0.07 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 62.29 1xn8 s SER 13 CO 0.65 -0.59 1.97 1.33 1.20 0.00 0.00 173.24 177.81 1xn8 n VAL 14 N 4.97 3.54 -3.64 4.45 0.24 -1.26 -4.38 118.33 122.26 1xn8 n VAL 14 Ca 0.11 -2.98 -0.38 0.00 -2.04 0.00 0.00 64.34 59.04 1xn8 n VAL 14 Cb 0.47 -1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 31.59 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 -3.79 3.18 0.39 6.34 0.40 -1.26 -4.96 117.98 118.27 1xn8 s PHE 15 Ca 0.64 -0.23 0.15 0.00 -0.60 0.00 0.00 56.93 56.89 1xn8 s PHE 15 Cb 0.50 -2.35 1.00 0.00 0.51 0.00 0.00 43.02 42.69 1xn8 s PHE 15 CO -0.00 -0.31 1.82 1.49 0.70 0.00 0.00 175.22 178.92 1xn8 h GLU 16 N 8.35 0.48 -0.65 0.44 4.57 -1.97 0.48 114.58 126.27 1xn8 h GLU 16 Ca -0.35 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1xn8 h GLU 16 Cb 1.17 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 1xn8 h GLU 16 CO 0.58 0.32 0.39 1.03 -1.18 0.00 0.00 179.01 180.15 1xn8 h SER 17 N 0.49 0.78 0.12 1.04 0.87 -1.89 1.25 113.55 116.21 1xn8 h SER 17 Ca 0.51 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.82 1xn8 h SER 17 Cb 1.16 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1xn8 h SER 17 CO -0.24 0.61 -0.74 0.58 -0.53 0.00 0.00 176.83 176.51 1xn8 h VAL 18 N 0.88 1.34 0.31 2.23 2.07 -0.77 -2.10 116.25 120.21 1xn8 h VAL 18 Ca 0.23 -2.08 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 1xn8 h VAL 18 Cb -0.03 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1xn8 h VAL 18 CO -0.04 0.64 -0.15 0.50 0.02 0.00 0.00 177.57 178.53 1xn8 h LYS 19 N 0.37 -0.40 -0.15 1.57 3.64 0.33 -3.24 116.57 118.68 1xn8 h LYS 19 Ca -0.04 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1xn8 h LYS 19 Cb 1.34 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.18 1xn8 h LYS 19 CO 0.14 -0.08 -0.32 1.79 -2.27 0.00 0.00 179.45 178.70 1xn8 h THR 20 N -0.75 0.28 -1.01 1.00 1.35 0.15 -3.42 112.91 110.50 1xn8 h THR 20 Ca -0.04 0.00 -0.70 0.00 -0.55 0.00 0.00 66.41 65.12 1xn8 h THR 20 Cb 0.50 0.28 0.10 0.00 -1.73 0.00 0.00 68.15 67.29 1xn8 h THR 20 CO 0.07 0.00 -0.39 0.54 -0.25 0.00 0.00 175.52 175.48 1xn8 n ARG 21 N -5.41 0.01 -1.54 4.72 1.74 -0.79 -4.91 116.66 110.48 1xn8 n ARG 21 Ca -0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 1xn8 n ARG 21 Cb 0.33 -1.12 0.13 0.00 -1.02 0.00 0.00 32.46 30.78 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xn8 s PRO 22 N -0.78 1.31 0.05 5.56 0.04 -1.26 -4.82 135.00 135.09 1xn8 s PRO 22 Ca 0.70 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 1xn8 s PRO 22 Cb -1.00 -1.85 -0.19 0.00 0.04 0.00 0.00 34.50 31.49 1xn8 s PRO 22 CO 0.56 -2.09 1.21 0.38 0.04 0.00 0.00 177.00 177.10 1xn8 h ASP 23 N -1.42 0.67 -0.73 6.66 3.04 -1.94 0.34 116.42 123.04 1xn8 h ASP 23 Ca -0.50 -0.67 0.14 0.00 -3.24 0.00 0.00 57.03 52.75 1xn8 h ASP 23 Cb 1.32 -0.20 -0.05 0.00 -1.04 0.00 0.00 39.33 39.36 1xn8 h ASP 23 CO 0.62 1.24 0.49 1.05 -2.04 0.00 0.00 179.24 180.59 1xn8 h GLU 24 N 0.16 0.43 0.00 4.15 4.11 -2.00 0.02 114.58 121.44 1xn8 h GLU 24 Ca -0.05 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.22 1xn8 h GLU 24 Cb 1.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1xn8 h GLU 24 CO 0.12 0.28 -0.75 -0.07 0.07 0.00 0.00 179.01 178.67 1xn8 h LEU 25 N 0.44 0.00 -1.57 3.06 3.38 -1.93 -3.31 115.31 115.38 1xn8 h LEU 25 Ca 0.35 -0.63 0.43 0.00 0.09 0.00 0.00 57.88 58.12 1xn8 h LEU 25 Cb 0.76 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 1xn8 h LEU 25 CO -0.11 1.25 0.93 -0.07 0.09 0.00 0.00 178.44 180.53 1xn8 h LEU 26 N -1.00 0.20 0.22 1.67 3.38 0.16 1.00 115.31 120.93 1xn8 h LEU 26 Ca -0.20 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xn8 h LEU 26 Cb 1.12 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1xn8 h LEU 26 CO -0.12 -0.10 -0.10 0.11 0.09 0.00 0.00 178.44 178.32 1xn8 h LYS 27 N 0.10 -0.28 -0.50 1.13 1.57 -1.11 0.93 116.57 118.41 1xn8 h LYS 27 Ca 0.78 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.63 1xn8 h LYS 27 Cb 2.61 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 34.95 1xn8 h LYS 27 CO -0.28 -0.03 0.33 1.96 -0.57 0.00 0.00 179.45 180.86 1xn8 h GLN 28 N -0.51 0.46 0.03 3.15 4.20 0.82 0.32 115.11 123.58 1xn8 h GLN 28 Ca -0.03 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.38 1xn8 h GLN 28 Cb 0.38 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.08 1xn8 h GLN 28 CO 0.05 0.31 -1.08 -0.44 -0.67 0.00 0.00 178.83 177.00 1xn8 h ASP 29 N 0.48 0.90 -0.15 1.46 3.32 -0.50 -2.00 116.42 119.93 1xn8 h ASP 29 Ca 0.21 -0.76 -0.00 0.00 0.02 0.00 0.00 57.03 56.50 1xn8 h ASP 29 Cb 0.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1xn8 h ASP 29 CO -0.05 1.55 0.08 0.40 -1.72 0.00 0.00 179.24 179.49 1xn8 h ILE 30 N 0.35 1.09 -0.13 0.35 2.04 0.22 -1.75 117.51 119.69 1xn8 h ILE 30 Ca -0.14 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1xn8 h ILE 30 Cb 1.74 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 1xn8 h ILE 30 CO 0.21 0.09 -0.06 -0.07 0.00 0.00 0.00 178.15 178.32 1xn8 h LEU 31 N 0.14 0.17 -0.93 1.44 3.38 -0.48 -1.74 115.31 117.29 1xn8 h LEU 31 Ca 0.05 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1xn8 h LEU 31 Cb 0.07 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1xn8 h LEU 31 CO -0.01 0.26 0.59 -0.08 0.09 0.00 0.00 178.44 179.29 1xn8 h GLU 32 N 0.18 1.02 -0.12 1.13 4.57 -0.53 -1.85 114.58 118.98 1xn8 h GLU 32 Ca 0.04 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 1xn8 h GLU 32 Cb 0.23 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xn8 h GLU 32 CO 0.01 0.67 -0.40 0.00 -1.18 0.00 0.00 179.01 178.11 1xn8 h ALA 33 N 1.44 0.21 -0.92 2.92 0.00 -0.98 -3.13 119.26 118.80 1xn8 h ALA 33 Ca 0.41 -0.46 0.26 0.00 0.00 0.00 0.00 54.91 55.12 1xn8 h ALA 33 Cb 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.83 1xn8 h ALA 33 CO -0.19 0.32 0.28 1.15 0.00 0.00 0.00 179.25 180.81 1xn8 h THR 34 N 0.08 0.26 -0.06 0.00 2.02 -0.68 0.73 112.91 115.25 1xn8 h THR 34 Ca -0.02 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1xn8 h THR 34 Cb 1.03 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1xn8 h THR 34 CO 0.09 0.03 0.03 0.00 0.37 0.00 0.00 175.52 176.04 1xn8 h ALA 35 N 1.83 0.08 0.04 6.16 0.00 -1.38 0.61 119.26 126.61 1xn8 h ALA 35 Ca 0.60 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1xn8 h ALA 35 Cb 1.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1xn8 h ALA 35 CO -0.69 -0.36 -0.12 0.22 0.00 0.00 0.00 179.25 178.30 1xn8 h ASP 36 N -0.01 -0.34 0.01 0.00 3.58 0.05 0.43 116.42 120.14 1xn8 h ASP 36 Ca 0.02 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.54 1xn8 h ASP 36 Cb 0.11 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1xn8 h ASP 36 CO -0.00 -0.18 -0.11 0.40 -2.88 0.00 0.00 179.24 176.47 1xn8 h ILE 37 N -0.23 0.72 -0.77 2.25 2.04 0.34 0.15 117.51 122.01 1xn8 h ILE 37 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 1xn8 h ILE 37 Cb 0.26 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1xn8 h ILE 37 CO -0.09 0.00 0.51 0.40 0.00 0.00 0.00 178.15 178.97 1xn8 h ILE 38 N -0.20 0.85 0.00 -0.67 2.04 0.63 0.68 117.51 120.84 1xn8 h ILE 38 Ca 0.04 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1xn8 h ILE 38 Cb 0.24 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1xn8 h ILE 38 CO -0.11 0.10 -0.46 -0.07 0.00 0.00 0.00 178.15 177.62 1xn8 h LEU 39 N 0.54 0.00 -0.05 1.44 3.38 0.14 1.28 115.31 122.04 1xn8 h LEU 39 Ca 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 1xn8 h LEU 39 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xn8 h LEU 39 CO -0.14 0.46 -0.29 0.11 0.09 0.00 0.00 178.44 178.67 1xn8 h LYS 40 N 0.00 0.28 -0.01 1.13 1.57 0.29 -3.25 116.57 116.59 1xn8 h LYS 40 Ca -0.00 -0.24 -0.21 0.00 -1.87 0.00 0.00 60.65 58.33 1xn8 h LYS 40 Cb 0.90 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xn8 h LYS 40 CO 0.06 0.89 -0.90 -0.39 -0.57 0.00 0.00 179.45 178.55 1xn8 h VAL 41 N -0.26 1.43 -0.44 0.50 -1.51 -0.64 -3.46 116.25 111.87 1xn8 h VAL 41 Ca -0.02 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 62.98 1xn8 h VAL 41 Cb 0.95 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 32.52 1xn8 h VAL 41 CO 0.06 0.73 0.00 0.61 -1.23 0.00 0.00 177.57 177.74 1xn8 n GLY 42 N 0.88 0.80 3.60 5.19 0.00 0.43 -0.39 105.19 115.70 1xn8 n GLY 42 Ca -0.05 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.44 -0.26 0.21 1.61 -3.43 -0.78 -4.78 115.29 105.42 1xn8 s HIS 43 Ca 0.00 0.45 0.08 0.00 -0.80 0.00 0.00 55.06 54.79 1xn8 s HIS 43 Cb 0.00 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.57 1xn8 s HIS 43 CO 0.00 -0.24 0.01 0.16 -2.00 0.00 0.00 174.74 172.66 1xn8 s ASP 44 N -1.08 4.71 -1.16 7.38 1.47 -1.26 -4.62 116.67 122.12 1xn8 s ASP 44 Ca 0.02 -0.48 -0.08 0.00 1.18 0.00 0.00 52.55 53.18 1xn8 s ASP 44 Cb -0.01 -0.97 0.24 0.00 -0.34 0.00 0.00 42.92 41.85 1xn8 s ASP 44 CO -0.01 0.05 1.47 0.49 0.68 0.00 0.00 175.17 177.85 1xn8 n PHE 45 N -0.44 3.70 -0.07 2.11 3.72 -1.26 -4.74 117.46 120.48 1xn8 n PHE 45 Ca -0.09 -3.11 -0.11 0.00 -0.05 0.00 0.00 57.45 54.08 1xn8 n PHE 45 Cb 0.57 -1.71 -0.08 0.00 -0.94 0.00 0.00 39.48 37.31 1xn8 n PHE 45 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1xn8 h SER 46 N 6.13 0.00 -1.24 4.37 0.02 -1.97 -3.43 113.55 117.43 1xn8 h SER 46 Ca 0.26 -0.56 -0.66 0.00 -0.84 0.00 0.00 61.79 60.00 1xn8 h SER 46 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1xn8 h SER 46 CO 1.31 0.96 1.42 0.47 -1.14 0.00 0.00 176.83 179.86 1xn8 n ASP 47 N -4.61 2.32 0.16 3.07 9.92 -1.26 -4.75 116.55 121.40 1xn8 n ASP 47 Ca -0.12 0.39 0.12 0.00 -0.53 0.00 0.00 54.79 54.65 1xn8 n ASP 47 Cb 0.39 -1.31 0.58 0.00 -0.64 0.00 0.00 41.12 40.14 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 12.75 1.00 -0.24 2.24 0.00 -2.01 0.40 119.26 133.41 1xn8 h ALA 48 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xn8 h ALA 48 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xn8 h ALA 48 CO 1.01 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.41 1xn8 n GLU 49 N -2.32 1.89 -2.72 0.00 0.28 -1.26 -4.20 120.64 112.31 1xn8 n GLU 49 Ca -0.00 -1.01 -0.07 0.00 -0.16 0.00 0.00 57.16 55.92 1xn8 n GLU 49 Cb 0.12 -1.41 0.07 0.00 1.43 0.00 0.00 31.44 31.65 1xn8 n GLU 49 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1xn8 n TYR 50 N 0.25 -2.43 -3.47 -1.84 9.36 0.13 -5.05 117.16 114.11 1xn8 n TYR 50 Ca 0.09 -1.51 -0.27 0.00 3.32 0.00 0.00 57.90 59.53 1xn8 n TYR 50 Cb 0.36 1.45 -0.09 0.00 -0.63 0.00 0.00 39.34 40.42 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 1.30 1.14 -2.42 2.97 5.41 -1.24 -4.73 119.36 121.78 1xn8 n ILE 51 Ca 0.06 -4.68 -0.34 0.00 1.00 0.00 0.00 62.75 58.79 1xn8 n ILE 51 Cb 0.67 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.54 1xn8 n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xn8 s PRO 52 N -1.70 3.69 -0.40 0.38 0.04 -1.26 -5.03 135.00 130.72 1xn8 s PRO 52 Ca 0.35 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.75 1xn8 s PRO 52 Cb 0.10 -2.08 0.20 0.00 0.04 0.00 0.00 34.50 32.76 1xn8 s PRO 52 CO -0.09 -0.51 0.41 -0.11 0.04 0.00 0.00 177.00 176.74 1xn8 n LEU 53 N -1.24 -0.22 0.00 -3.56 7.94 -1.26 -5.06 117.00 113.60 1xn8 n LEU 53 Ca 0.09 -4.50 -0.29 0.00 -1.11 0.00 0.00 56.01 50.21 1xn8 n LEU 53 Cb 0.53 0.58 0.22 0.00 0.53 0.00 0.00 43.42 45.27 1xn8 n LEU 53 CO 0.42 1.94 0.72 -0.81 -1.11 0.00 0.00 177.39 178.55 1xn8 n PRO 54 N 2.28 -2.15 0.19 1.96 -0.04 -1.26 -4.83 135.00 131.14 1xn8 n PRO 54 Ca 0.26 -1.83 0.06 0.00 -0.04 0.00 0.00 63.50 61.95 1xn8 n PRO 54 Cb 0.50 -1.45 0.29 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.26 0.54 4.57 -1.98 -2.29 114.58 115.69 1xn8 h GLU 55 Ca -0.41 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1xn8 h GLU 55 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1xn8 h GLU 55 CO 0.28 0.35 -0.13 1.79 -1.18 0.00 0.00 179.01 180.12 1xn8 h THR 56 N 0.00 0.76 0.48 0.32 1.35 -1.93 0.62 112.91 114.52 1xn8 h THR 56 Ca -0.00 -0.68 -0.02 0.00 -0.55 0.00 0.00 66.41 65.15 1xn8 h THR 56 Cb 0.98 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1xn8 h THR 56 CO 0.05 0.14 -0.23 0.58 -0.25 0.00 0.00 175.52 175.80 1xn8 h VAL 57 N -0.73 0.53 -1.00 6.82 2.07 -1.68 0.91 116.25 123.15 1xn8 h VAL 57 Ca -0.04 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.56 1xn8 h VAL 57 Cb 0.49 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1xn8 h VAL 57 CO 0.06 0.02 0.62 -0.09 0.02 0.00 0.00 177.57 178.19 1xn8 h ARG 58 N -0.70 0.77 -0.16 1.57 2.43 -1.48 0.83 114.38 117.64 1xn8 h ARG 58 Ca -0.07 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.85 1xn8 h ARG 58 Cb 0.52 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1xn8 h ARG 58 CO 0.11 0.51 -0.73 1.25 -1.51 0.00 0.00 179.97 179.60 1xn8 h LEU 59 N 0.79 0.83 -0.55 3.80 5.85 -0.43 0.20 115.31 125.81 1xn8 h LEU 59 Ca 0.57 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1xn8 h LEU 59 Cb 0.85 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1xn8 h LEU 59 CO -0.36 1.31 0.23 0.00 -0.34 0.00 0.00 178.44 179.27 1xn8 h ALA 60 N 0.68 0.72 -0.16 1.25 0.00 0.39 0.24 119.26 122.37 1xn8 h ALA 60 Ca -0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1xn8 h ALA 60 Cb 1.34 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xn8 h ALA 60 CO 0.15 0.32 -0.63 1.25 0.00 0.00 0.00 179.25 180.34 1xn8 h LEU 61 N 0.75 0.66 -0.87 0.00 7.12 0.56 0.83 115.31 124.37 1xn8 h LEU 61 Ca 0.18 -0.39 -0.04 0.00 0.13 0.00 0.00 57.88 57.77 1xn8 h LEU 61 Cb 0.19 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.09 1xn8 h LEU 61 CO -0.02 1.13 0.36 -0.07 -0.13 0.00 0.00 178.44 179.71 1xn8 h LEU 62 N 0.43 1.08 0.09 2.25 3.38 -0.16 1.28 115.31 123.66 1xn8 h LEU 62 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1xn8 h LEU 62 Cb 1.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xn8 h LEU 62 CO 0.12 0.93 -0.04 0.11 0.09 0.00 0.00 178.44 179.65 1xn8 h LYS 63 N 1.16 -0.11 -0.58 1.13 1.57 -0.40 -1.36 116.57 117.99 1xn8 h LYS 63 Ca 0.27 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1xn8 h LYS 63 Cb 0.16 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1xn8 h LYS 63 CO -0.03 0.42 0.34 -0.07 -0.57 0.00 0.00 179.45 179.53 1xn8 h LEU 64 N -0.75 0.53 -0.02 2.94 3.38 -0.69 1.11 115.31 121.80 1xn8 h LEU 64 Ca -0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xn8 h LEU 64 Cb 0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1xn8 h LEU 64 CO 0.02 0.36 -0.09 -1.28 0.09 0.00 0.00 178.44 177.54 1xn8 h SER 65 N 0.65 -0.26 -0.49 -0.43 0.87 0.16 0.21 113.55 114.26 1xn8 h SER 65 Ca 0.24 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1xn8 h SER 65 Cb 0.07 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1xn8 h SER 65 CO -0.12 -0.13 0.05 -0.61 -0.53 0.00 0.00 176.83 175.49 1xn8 h GLN 66 N -0.14 0.84 -0.10 2.24 4.15 -0.69 0.72 115.11 122.12 1xn8 h GLN 66 Ca 0.04 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.26 1xn8 h GLN 66 Cb 0.20 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1xn8 h GLN 66 CO -0.11 0.85 -0.11 0.35 -1.93 0.00 0.00 178.83 177.88 1xn8 h PHE 67 N 0.71 -0.27 0.05 3.99 3.57 0.17 0.50 116.94 125.66 1xn8 h PHE 67 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1xn8 h PHE 67 Cb 0.44 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1xn8 h PHE 67 CO 0.03 -0.16 -0.02 1.88 -2.23 0.00 0.00 178.31 177.80 1xn8 h TYR 68 N -0.14 -0.06 -0.51 0.41 0.05 -0.50 -2.78 116.97 113.43 1xn8 h TYR 68 Ca 0.08 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.00 1xn8 h TYR 68 Cb 0.25 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1xn8 h TYR 68 CO -0.22 0.52 0.44 0.00 -1.05 0.00 0.00 178.16 177.86 1xn8 h ALA 69 N 0.12 2.34 -1.28 3.88 0.00 0.52 0.61 119.26 125.46 1xn8 h ALA 69 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xn8 h ALA 69 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xn8 h ALA 69 CO 0.01 -0.71 0.00 -0.11 0.00 0.00 0.00 179.25 178.45 1xn8 n LEU 70 N -4.02 0.60 -0.32 0.00 7.94 0.17 -3.41 117.00 117.97 1xn8 n LEU 70 Ca 0.10 0.55 0.27 0.00 -1.11 0.00 0.00 56.01 55.81 1xn8 n LEU 70 Cb 0.65 -0.29 0.58 0.00 0.53 0.00 0.00 43.42 44.90 1xn8 n LEU 70 CO 0.32 -0.29 1.24 0.16 -1.11 0.00 0.00 177.39 177.72 1xn8 h ILE 71 N 0.00 0.47 -0.95 1.96 3.07 -1.20 -0.39 117.51 120.47 1xn8 h ILE 71 Ca 0.00 -0.09 0.10 0.00 1.55 0.00 0.00 64.86 66.42 1xn8 h ILE 71 Cb 0.00 0.18 -0.13 0.00 -0.27 0.00 0.00 36.82 36.60 1xn8 h ILE 71 CO 0.00 0.05 -0.54 -1.13 -1.05 0.00 0.00 178.15 175.48 1xn8 h ASN 72 N 0.27 -1.98 -0.85 2.16 -0.73 0.19 -3.38 115.58 111.27 1xn8 h ASN 72 Ca 0.59 0.32 -0.03 0.00 1.87 0.00 0.00 56.30 59.06 1xn8 h ASN 72 Cb 1.75 0.90 -0.19 0.00 0.27 0.00 0.00 38.32 41.05 1xn8 h ASN 72 CO -0.23 -0.26 -0.38 -0.83 -0.37 0.00 0.00 177.43 175.36 1xn8 s GLY 73 N -2.72 -1.33 -0.23 1.57 0.00 -0.19 -5.02 107.32 99.41 1xn8 s GLY 73 Ca -0.13 0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.93 1xn8 s GLY 73 CO 0.64 3.79 -0.07 1.34 0.00 0.00 0.00 173.10 178.80 1xn8 n ASP 74 N 4.25 1.99 0.01 1.64 2.03 -0.97 -4.73 116.55 120.76 1xn8 n ASP 74 Ca 0.10 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1xn8 n ASP 74 Cb 0.58 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 -3.77 0.00 -3.19 -0.67 2.13 -1.26 -4.86 120.64 109.01 1xn8 n GLU 75 Ca -0.43 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.16 1xn8 n GLU 75 Cb 0.93 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.57 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xn8 n SER 76 N -2.12 0.46 -4.58 4.31 2.88 -1.26 -5.09 113.62 108.21 1xn8 n SER 76 Ca 0.00 -2.79 -0.34 0.00 -1.33 0.00 0.00 58.87 54.41 1xn8 n SER 76 Cb 0.00 -0.64 -0.11 0.00 -0.75 0.00 0.00 64.21 62.72 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 -1.53 4.31 -0.17 2.46 1.01 -1.26 -4.58 121.20 121.44 1xn8 s ILE 77 Ca 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1xn8 s ILE 77 Cb 0.21 -2.90 0.08 0.00 0.01 0.00 0.00 42.46 39.86 1xn8 s ILE 77 CO -0.10 0.50 0.22 -0.63 0.00 0.00 0.00 174.94 174.93 1xn8 s ILE 78 N 0.17 -0.33 0.80 2.92 1.09 -1.24 -4.93 121.20 119.68 1xn8 s ILE 78 Ca 0.01 0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.45 1xn8 s ILE 78 Cb -0.13 -0.59 0.19 0.00 -1.06 0.00 0.00 42.46 40.87 1xn8 s ILE 78 CO 0.02 -0.11 0.43 2.29 -0.10 0.00 0.00 174.94 177.47 1xn8 n LYS 79 N 5.32 -2.56 -0.07 2.79 2.85 -1.26 -3.13 118.16 122.10 1xn8 n LYS 79 Ca -0.05 -0.72 -0.02 0.00 -1.05 0.00 0.00 58.31 56.46 1xn8 n LYS 79 Cb 0.50 -1.08 -0.02 0.00 -0.65 0.00 0.00 35.03 33.78 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 -2.46 -2.99 0.64 2.58 0.00 -1.26 -4.71 105.19 96.99 1xn8 n GLY 80 Ca 0.07 0.69 -0.04 0.00 0.00 0.00 0.00 46.02 46.73 1xn8 n GLY 80 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xn8 n TYR 81 N -3.38 -1.31 0.21 1.61 9.36 -1.26 -5.00 117.16 117.38 1xn8 n TYR 81 Ca 0.00 -0.39 0.03 0.00 3.32 0.00 0.00 57.90 60.86 1xn8 n TYR 81 Cb 0.05 -0.07 0.18 0.00 -0.63 0.00 0.00 39.34 38.86 1xn8 n TYR 81 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1xn8 n THR 82 N -0.71 1.18 -1.42 2.97 -1.04 -1.26 -4.91 114.28 109.09 1xn8 n THR 82 Ca -0.00 -0.62 -0.29 0.00 -2.04 0.00 0.00 64.05 61.10 1xn8 n THR 82 Cb 0.11 -0.34 0.14 0.00 -1.82 0.00 0.00 70.33 68.41 1xn8 n THR 82 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xn8 s THR 83 N -1.78 2.34 0.16 12.58 2.01 -1.26 -5.06 115.64 124.63 1xn8 s THR 83 Ca 0.25 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 1xn8 s THR 83 Cb 0.18 -2.77 0.04 0.00 0.01 0.00 0.00 72.50 69.96 1xn8 s THR 83 CO 0.08 -0.14 0.15 -0.62 -0.69 0.00 0.00 174.62 173.40 1xn8 n GLU 84 N -3.80 -1.00 -1.68 4.92 1.02 -1.26 -4.89 120.64 113.95 1xn8 n GLU 84 Ca 0.06 -0.25 -0.45 0.00 -0.02 0.00 0.00 57.16 56.51 1xn8 n GLU 84 Cb 0.58 -0.21 -0.04 0.00 -0.02 0.00 0.00 31.44 31.75 1xn8 n GLU 84 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xn8 n LYS 85 N -1.80 2.56 -0.04 3.49 4.76 -1.26 -4.83 118.16 121.04 1xn8 n LYS 85 Ca 0.02 0.94 0.10 0.00 -2.87 0.00 0.00 58.31 56.50 1xn8 n LYS 85 Cb 0.08 -2.82 0.11 0.00 -1.84 0.00 0.00 35.03 30.55 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1xn8 n ILE 86 N 5.01 0.12 -3.46 -0.18 5.41 -1.26 -5.01 119.36 120.00 1xn8 n ILE 86 Ca 0.20 -0.56 -0.25 0.00 1.00 0.00 0.00 62.75 63.14 1xn8 n ILE 86 Cb 0.35 1.31 0.01 0.00 -0.71 0.00 0.00 39.64 40.60 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 1.17 -0.74 0.00 7.39 0.00 -1.26 -4.91 105.19 106.84 1xn8 n GLY 87 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1xn8 n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn8 n ASP 88 N -1.51 0.00 -4.11 1.61 -0.08 -1.26 -5.10 116.55 106.10 1xn8 n ASP 88 Ca -0.22 0.00 -0.58 0.00 -1.51 0.00 0.00 54.79 52.48 1xn8 n ASP 88 Cb 0.58 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.94 1xn8 n ASP 88 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xn8 n TYR 89 N -0.31 1.22 0.00 -0.67 4.01 -1.26 -4.68 117.16 115.48 1xn8 n TYR 89 Ca 0.00 0.81 0.00 0.00 -0.16 0.00 0.00 57.90 58.55 1xn8 n TYR 89 Cb 0.00 -2.14 0.00 0.00 -0.31 0.00 0.00 39.34 36.89 1xn8 n TYR 89 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1xn8 n SER 90 N 6.26 0.00 -2.97 7.72 2.88 -1.25 -4.97 113.62 121.29 1xn8 n SER 90 Ca 0.46 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.99 1xn8 n SER 90 Cb -0.04 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.41 1xn8 n SER 90 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1xn8 n TYR 91 N 0.17 -1.63 -2.26 0.66 4.01 -1.26 -3.82 117.16 113.03 1xn8 n TYR 91 Ca 0.00 0.81 -0.42 0.00 -0.16 0.00 0.00 57.90 58.13 1xn8 n TYR 91 Cb 0.00 -2.16 -0.03 0.00 -0.31 0.00 0.00 39.34 36.84 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 -0.88 3.88 0.75 -0.72 2.01 -1.18 -3.83 115.64 115.66 1xn8 s THR 92 Ca -0.04 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.03 1xn8 s THR 92 Cb 0.00 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.79 1xn8 s THR 92 CO 0.31 -0.04 1.08 -0.76 -0.69 0.00 0.00 174.62 174.52 1xn8 s LEU 93 N 2.93 3.08 0.27 4.42 1.43 0.11 -3.65 118.68 127.26 1xn8 s LEU 93 Ca 0.63 1.78 0.01 0.00 -1.03 0.00 0.00 54.13 55.51 1xn8 s LEU 93 Cb -0.29 -4.52 0.59 0.00 0.03 0.00 0.00 46.19 42.01 1xn8 s LEU 93 CO 0.24 -1.86 1.75 1.23 0.23 0.00 0.00 176.35 177.94 1xn8 h GLY 94 N -0.96 1.45 2.00 -3.19 0.00 -1.88 1.29 103.07 101.79 1xn8 h GLY 94 Ca -0.44 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1xn8 h GLY 94 CO 0.53 -0.08 0.00 1.22 0.00 0.00 0.00 176.54 178.21 1xn8 n ASP 95 N -4.89 0.35 0.00 0.19 9.92 -1.26 -4.79 116.55 116.06 1xn8 n ASP 95 Ca 0.19 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 55.07 1xn8 n ASP 95 Cb 0.49 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 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 -0.75 0.71 3.93 0.44 0.00 0.44 -5.07 105.19 104.90 1xn8 n GLY 96 Ca 0.01 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1xn8 n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xn8 s SER 97 N -2.32 6.11 -0.63 1.61 0.15 -1.23 -4.74 113.70 112.65 1xn8 s SER 97 Ca 0.00 0.59 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 1xn8 s SER 97 Cb 0.00 -1.96 0.16 0.00 -1.71 0.00 0.00 66.02 62.51 1xn8 s SER 97 CO 0.00 -0.55 0.55 -0.94 1.20 0.00 0.00 173.24 173.50 1xn8 s SER 98 N -4.12 6.22 0.05 5.45 1.04 -1.26 0.04 113.70 121.11 1xn8 s SER 98 Ca 0.45 -2.18 -0.31 0.00 0.48 0.00 0.00 55.95 54.40 1xn8 s SER 98 Cb -0.10 -2.15 -0.07 0.00 0.10 0.00 0.00 66.02 63.80 1xn8 s SER 98 CO 0.40 -0.70 1.55 -0.22 0.98 0.00 0.00 173.24 175.25 1xn8 s LEU 99 N 0.98 4.35 0.00 2.42 2.96 -1.25 -4.92 118.68 123.21 1xn8 s LEU 99 Ca 0.09 2.35 0.04 0.00 -0.22 0.00 0.00 54.13 56.38 1xn8 s LEU 99 Cb -0.22 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.94 1xn8 s LEU 99 CO -0.02 -0.82 0.31 0.00 -1.32 0.00 0.00 176.35 174.50 1xn8 n GLN 100 N 5.41 0.72 -1.74 1.98 6.02 -1.26 -3.81 117.38 124.71 1xn8 n GLN 100 Ca 0.15 -3.41 -0.42 0.00 -0.01 0.00 0.00 57.00 53.31 1xn8 n GLN 100 Cb 0.42 0.50 -0.01 0.00 1.02 0.00 0.00 30.24 32.17 1xn8 n GLN 100 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1xn8 n LYS 101 N -1.63 2.58 -2.54 -1.09 3.00 -1.26 -4.95 118.16 112.26 1xn8 n LYS 101 Ca -0.06 0.91 -0.34 0.00 -0.00 0.00 0.00 58.31 58.82 1xn8 n LYS 101 Cb 0.61 -2.65 -0.03 0.00 0.00 0.00 0.00 35.03 32.96 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1xn8 s PRO 102 N -1.12 3.80 -1.16 1.64 0.04 -1.26 -4.91 135.00 132.03 1xn8 s PRO 102 Ca 0.60 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 1xn8 s PRO 102 Cb -0.51 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1xn8 s PRO 102 CO 0.55 -0.43 2.11 -3.47 0.04 0.00 0.00 177.00 175.80 1xn8 n ASP 103 N -0.98 3.39 -0.00 6.66 -0.08 -1.26 -4.21 116.55 120.07 1xn8 n ASP 103 Ca 0.09 -2.76 0.06 0.00 -1.51 0.00 0.00 54.79 50.67 1xn8 n ASP 103 Cb 0.53 -1.41 -0.08 0.00 2.34 0.00 0.00 41.12 42.49 1xn8 n ASP 103 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1xn8 n VAL 104 N 5.45 0.00 -0.20 5.18 0.24 -1.26 -4.47 118.33 123.26 1xn8 n VAL 104 Ca 0.51 -0.25 0.15 0.00 -2.04 0.00 0.00 64.34 62.71 1xn8 n VAL 104 Cb 0.39 0.59 0.47 0.00 -1.47 0.00 0.00 33.84 33.81 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 0.00 0.59 0.00 6.34 3.20 -1.96 0.67 116.97 125.81 1xn8 h TYR 105 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1xn8 h TYR 105 Cb 0.44 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1xn8 h TYR 105 CO 0.00 0.22 -0.27 0.00 -1.64 0.00 0.00 178.16 176.46 1xn8 h ALA 106 N 1.63 1.04 0.00 1.82 0.00 -1.94 1.48 119.26 123.29 1xn8 h ALA 106 Ca 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xn8 h ALA 106 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xn8 h ALA 106 CO -0.15 0.34 0.00 -0.07 0.00 0.00 0.00 179.25 179.37 1xn8 h LEU 107 N 0.00 0.00 -2.34 0.00 3.38 0.05 -3.11 115.31 113.29 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 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1xn8 h LEU 107 CO 0.04 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.87 1xn8 n ILE 108 N -2.71 0.68 0.21 1.22 -5.35 -0.68 -3.97 119.36 108.75 1xn8 n ILE 108 Ca 0.04 -0.80 0.09 0.00 -0.27 0.00 0.00 62.75 61.81 1xn8 n ILE 108 Cb 0.46 0.68 0.33 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.00 0.00 0.17 6.28 3.11 0.21 -2.40 116.57 123.94 1xn8 h LYS 109 Ca 0.00 0.00 -0.33 0.00 -2.81 0.00 0.00 60.65 57.51 1xn8 h LYS 109 Cb 0.41 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1xn8 h LYS 109 CO 0.00 0.25 -1.61 0.22 -2.81 0.00 0.00 179.45 175.50 1xn8 h ASP 110 N 0.00 0.56 -0.91 4.20 3.58 -1.81 -3.31 116.42 118.73 1xn8 h ASP 110 Ca -0.00 -0.76 -0.57 0.00 0.42 0.00 0.00 57.03 56.11 1xn8 h ASP 110 Cb 0.92 -0.18 -0.27 0.00 1.72 0.00 0.00 39.33 41.51 1xn8 h ASP 110 CO 0.03 1.63 0.74 -1.22 -2.88 0.00 0.00 179.24 177.54 1xn8 n TYR 111 N -3.56 2.91 -2.17 0.28 4.02 -1.16 -4.97 117.16 112.51 1xn8 n TYR 111 Ca -0.20 -2.50 -0.32 0.00 -0.01 0.00 0.00 57.90 54.88 1xn8 n TYR 111 Cb 1.07 -1.22 -0.01 0.00 -0.02 0.00 0.00 39.34 39.16 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 -3.96 4.38 -0.42 -0.72 1.01 -0.91 -4.88 120.40 114.90 1xn8 s VAL 112 Ca 0.57 1.04 -0.40 0.00 0.00 0.00 0.00 61.98 63.19 1xn8 s VAL 112 Cb 0.46 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 33.02 1xn8 s VAL 112 CO 0.03 -0.75 2.10 1.17 0.00 0.00 0.00 175.10 177.65 1xn8 n LYS 113 N -2.00 0.52 -1.51 2.72 0.00 0.48 -4.90 118.16 113.47 1xn8 n LYS 113 Ca 0.07 0.15 -0.30 0.00 0.00 0.00 0.00 58.31 58.23 1xn8 n LYS 113 Cb 0.54 -1.93 0.22 0.00 0.00 0.00 0.00 35.03 33.86 1xn8 n LYS 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1xn8 s PRO 114 N 5.74 -0.41 -1.14 1.64 0.04 -1.26 -4.97 135.00 134.65 1xn8 s PRO 114 Ca 1.13 -0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.79 1xn8 s PRO 114 Cb -1.21 -1.71 0.26 0.00 0.04 0.00 0.00 34.50 31.87 1xn8 s PRO 114 CO 0.60 -3.13 1.21 0.00 0.04 0.00 0.00 177.00 175.72 1xn8 n ALA 115 N -4.30 4.25 -2.91 8.56 0.00 -1.26 -4.81 120.51 120.04 1xn8 n ALA 115 Ca 0.15 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 48.99 1xn8 n ALA 115 Cb 0.59 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1xn8 n ALA 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xn8 n ASP 116 N 3.15 -6.01 -3.25 0.00 2.03 -1.26 -4.96 116.55 106.25 1xn8 n ASP 116 Ca 0.27 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.99 1xn8 n ASP 116 Cb 0.39 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1xn8 n ASP 116 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xn8 n PRO 117 N 1.34 1.23 -0.92 -0.67 -0.04 -1.26 -4.84 135.00 129.83 1xn8 n PRO 117 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1xn8 n PRO 117 Cb 0.40 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.80 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 0.00 5.72 0.16 3.54 -0.08 -1.26 -4.15 116.55 120.48 1xn8 n ASP 118 Ca 0.00 -2.70 0.12 0.00 -1.51 0.00 0.00 54.79 50.71 1xn8 n ASP 118 Cb 0.00 -1.23 0.26 0.00 2.34 0.00 0.00 41.12 42.49 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 3.74 0.00 -8.27 -2.67 8.10 -2.00 -3.46 115.31 110.74 1xn8 h LEU 119 Ca 0.19 -0.01 -0.54 0.00 0.11 0.00 0.00 57.88 57.63 1xn8 h LEU 119 Cb 1.11 0.00 0.18 0.00 -0.44 0.00 0.00 40.66 41.50 1xn8 h LEU 119 CO 0.38 0.00 -1.19 1.21 -4.11 0.00 0.00 178.44 174.73 1xn8 n GLU 120 N -2.70 0.00 -1.53 0.17 4.07 -1.26 -4.46 120.64 114.93 1xn8 n GLU 120 Ca 0.04 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.91 1xn8 n GLU 120 Cb 0.49 -0.92 -0.11 0.00 -0.06 0.00 0.00 31.44 30.83 1xn8 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xn8 n GLY 121 N 2.49 -0.22 3.48 8.31 0.00 -1.26 -4.87 105.19 113.12 1xn8 n GLY 121 Ca 0.05 0.40 -0.24 0.00 0.00 0.00 0.00 46.02 46.23 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 9.76 2.54 0.00 -0.61 1.01 -1.26 -4.59 121.20 128.06 1xn8 s ILE 122 Ca 1.09 -2.32 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1xn8 s ILE 122 Cb -0.47 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1xn8 s ILE 122 CO 0.29 -0.36 0.00 -0.62 0.00 0.00 0.00 174.94 174.26 1xn8 n GLU 123 N -0.52 -0.64 -0.09 2.79 1.02 -1.26 -4.81 120.64 117.12 1xn8 n GLU 123 Ca -0.06 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.11 1xn8 n GLU 123 Cb 0.59 -3.80 -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 0.81 0.14 0.62 0.00 -1.26 -3.76 120.51 118.06 1xn8 n ALA 124 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 1xn8 n ALA 124 Cb 0.16 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.44 -0.33 0.00 1.63 -1.87 -2.56 116.57 112.00 1xn8 h LYS 125 Ca -0.16 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1xn8 h LYS 125 Cb 1.01 0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 32.66 1xn8 h LYS 125 CO -0.10 -0.29 -0.50 0.28 -3.45 0.00 0.00 179.45 175.39 1xn8 h VAL 126 N -0.45 0.05 -1.55 2.00 2.07 -1.96 1.61 116.25 118.01 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 0.44 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 1xn8 h VAL 126 CO -0.07 0.00 1.08 0.03 0.02 0.00 0.00 177.57 178.62 1xn8 h ARG 127 N -0.42 0.04 0.00 1.57 3.08 -1.58 0.71 114.38 117.78 1xn8 h ARG 127 Ca 0.09 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1xn8 h ARG 127 Cb 0.62 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1xn8 h ARG 127 CO -0.54 0.03 -0.65 0.52 -1.07 0.00 0.00 179.97 178.26 1xn8 h MET 128 N 0.05 0.00 -0.51 0.04 2.86 0.76 -3.33 114.93 114.79 1xn8 h MET 128 Ca 0.81 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.60 1xn8 h MET 128 Cb 2.96 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 34.60 1xn8 h MET 128 CO -0.17 0.29 0.65 0.00 1.06 0.00 0.00 176.91 178.74 1xn8 h ARG 129 N -1.00 0.00 -2.16 1.72 3.08 0.35 0.36 114.38 116.73 1xn8 h ARG 129 Ca -0.09 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.34 1xn8 h ARG 129 Cb 0.69 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.34 1xn8 h ARG 129 CO -0.06 0.00 -0.42 0.43 -1.07 0.00 0.00 179.97 178.86 1xn8 n SER 130 N -3.45 4.94 -0.25 7.04 7.64 0.23 -5.04 113.62 124.74 1xn8 n SER 130 Ca 0.10 -3.70 0.03 0.00 1.01 0.00 0.00 58.87 56.31 1xn8 n SER 130 Cb 0.84 -0.63 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03