#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn8 n LEU 2 N 0.00 0.00 0.00 4.03 -0.00 -1.26 -3.32 117.00 116.45 1xn8 n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xn8 n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1xn8 n LEU 2 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 177.57 1xn8 n LEU 3 N 0.00 0.00 -3.97 -1.96 4.32 -1.26 -5.16 117.00 108.97 1xn8 n LEU 3 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1xn8 n LEU 3 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1xn8 n LEU 3 CO 0.00 0.00 -0.30 0.27 -1.22 0.00 0.00 177.39 176.14 1xn8 s ILE 4 N 0.00 0.13 0.08 -0.08 -4.36 -1.21 -5.16 121.20 110.60 1xn8 s ILE 4 Ca 0.00 -1.07 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1xn8 s ILE 4 Cb 0.00 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.04 1xn8 s ILE 4 CO 0.00 -0.59 0.22 0.28 0.24 0.00 0.00 174.94 175.09 1xn8 s THR 5 N -2.11 5.37 -0.11 8.37 -1.32 -1.26 -5.00 115.64 119.57 1xn8 s THR 5 Ca -0.10 -0.45 0.26 0.00 -1.21 0.00 0.00 61.69 60.19 1xn8 s THR 5 Cb -0.05 -3.65 0.31 0.00 -1.51 0.00 0.00 72.50 67.60 1xn8 s THR 5 CO -0.03 0.09 1.76 1.55 -2.21 0.00 0.00 174.62 175.78 1xn8 h PRO 6 N 2.89 0.00 -0.01 7.08 0.13 -1.92 -2.89 132.00 137.29 1xn8 h PRO 6 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1xn8 h PRO 6 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1xn8 h PRO 6 CO 0.74 0.10 -0.46 -0.44 -0.23 0.00 0.00 178.00 177.72 1xn8 h ASP 7 N 0.00 0.03 0.27 1.44 5.19 -1.94 -2.77 116.42 118.64 1xn8 h ASP 7 Ca -0.00 -0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.17 1xn8 h ASP 7 Cb 0.83 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1xn8 h ASP 7 CO 0.01 0.48 -0.92 -0.33 -3.12 0.00 0.00 179.24 175.37 1xn8 h GLU 8 N 0.02 0.46 -0.32 3.56 5.08 -1.93 -2.19 114.58 119.25 1xn8 h GLU 8 Ca -0.00 -0.47 0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1xn8 h GLU 8 Cb 0.82 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 1xn8 h GLU 8 CO 0.06 1.12 -0.13 1.25 -1.00 0.00 0.00 179.01 180.31 1xn8 h LEU 9 N 0.27 -0.44 -0.70 1.33 5.85 -1.44 0.55 115.31 120.73 1xn8 h LEU 9 Ca -0.08 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1xn8 h LEU 9 Cb 1.55 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1xn8 h LEU 9 CO 0.16 -0.16 -0.29 0.07 -0.34 0.00 0.00 178.44 177.88 1xn8 h LYS 10 N -0.07 0.68 -0.92 1.25 2.10 -1.57 0.47 116.57 118.52 1xn8 h LYS 10 Ca 0.16 -0.30 0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1xn8 h LYS 10 Cb 0.31 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.57 1xn8 h LYS 10 CO -0.37 0.89 0.60 1.03 -2.00 0.00 0.00 179.45 179.60 1xn8 h SER 11 N 0.58 1.00 0.20 7.07 0.87 -0.38 -2.76 113.55 120.13 1xn8 h SER 11 Ca 0.07 -0.01 -0.32 0.00 -1.23 0.00 0.00 61.79 60.30 1xn8 h SER 11 Cb 0.79 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1xn8 h SER 11 CO 0.07 0.69 -1.52 0.22 -0.53 0.00 0.00 176.83 175.76 1xn8 h TYR 12 N 1.17 0.76 -4.07 2.24 3.20 0.33 -3.46 116.97 117.13 1xn8 h TYR 12 Ca 0.36 -0.55 -0.47 0.00 3.14 0.00 0.00 58.73 61.21 1xn8 h TYR 12 Cb -0.01 -0.03 0.03 0.00 1.54 0.00 0.00 36.73 38.26 1xn8 h TYR 12 CO -0.00 1.59 0.39 0.45 -1.64 0.00 0.00 178.16 178.95 1xn8 s SER 13 N -7.33 6.29 -0.03 -2.11 0.15 0.16 -4.96 113.70 105.88 1xn8 s SER 13 Ca -0.14 1.96 0.16 0.00 0.70 0.00 0.00 55.95 58.63 1xn8 s SER 13 Cb 0.04 -2.56 -0.25 0.00 -1.71 0.00 0.00 66.02 61.54 1xn8 s SER 13 CO 0.87 -0.82 0.34 1.33 1.20 0.00 0.00 173.24 176.17 1xn8 n VAL 14 N -0.97 0.07 -1.71 4.45 0.24 -1.26 -4.75 118.33 114.40 1xn8 n VAL 14 Ca 0.09 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.58 1xn8 n VAL 14 Cb 0.52 0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.94 1xn8 n VAL 14 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1xn8 n PHE 15 N -2.11 2.70 0.24 6.34 3.72 -1.26 -4.86 117.46 122.23 1xn8 n PHE 15 Ca -0.04 -0.05 0.09 0.00 -0.05 0.00 0.00 57.45 57.40 1xn8 n PHE 15 Cb 0.47 -2.70 0.61 0.00 -0.94 0.00 0.00 39.48 36.91 1xn8 n PHE 15 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1xn8 h GLU 16 N 7.59 0.00 0.03 -1.08 4.81 -1.98 -2.31 114.58 121.64 1xn8 h GLU 16 Ca -0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1xn8 h GLU 16 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1xn8 h GLU 16 CO 0.95 0.18 -0.01 0.77 -0.73 0.00 0.00 179.01 180.17 1xn8 h SER 17 N 0.00 -0.04 -0.82 1.04 0.02 -1.89 1.32 113.55 113.19 1xn8 h SER 17 Ca -0.00 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1xn8 h SER 17 Cb 0.40 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1xn8 h SER 17 CO 0.02 0.06 0.35 0.58 -1.14 0.00 0.00 176.83 176.71 1xn8 h VAL 18 N -0.13 1.26 0.32 2.27 2.07 -1.68 0.19 116.25 120.55 1xn8 h VAL 18 Ca -0.00 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1xn8 h VAL 18 Cb 0.12 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1xn8 h VAL 18 CO 0.01 0.33 -0.15 0.11 0.02 0.00 0.00 177.57 177.89 1xn8 h LYS 19 N 1.19 -0.41 -0.28 1.57 1.57 -1.07 -3.20 116.57 115.93 1xn8 h LYS 19 Ca 0.28 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.15 1xn8 h LYS 19 Cb 0.19 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1xn8 h LYS 19 CO -0.03 -0.10 -0.15 1.79 -0.57 0.00 0.00 179.45 180.39 1xn8 h THR 20 N -0.75 0.54 -1.58 -0.16 1.35 0.19 -3.43 112.91 109.07 1xn8 h THR 20 Ca -0.04 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.21 1xn8 h THR 20 Cb 0.50 0.54 0.15 0.00 -1.73 0.00 0.00 68.15 67.61 1xn8 h THR 20 CO 0.07 0.00 -0.89 -1.14 -0.25 0.00 0.00 175.52 173.31 1xn8 n ARG 21 N -5.32 0.00 -1.99 4.72 0.63 0.65 -4.89 116.66 110.46 1xn8 n ARG 21 Ca -0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1xn8 n ARG 21 Cb 0.24 -0.97 0.01 0.00 0.45 0.00 0.00 32.46 32.19 1xn8 n ARG 21 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xn8 s PRO 22 N -0.97 3.31 0.37 -0.14 0.04 -1.26 -4.83 135.00 131.52 1xn8 s PRO 22 Ca 0.58 1.13 0.09 0.00 0.04 0.00 0.00 61.00 62.83 1xn8 s PRO 22 Cb -0.64 -2.04 0.73 0.00 0.04 0.00 0.00 34.50 32.59 1xn8 s PRO 22 CO 0.60 -0.81 1.88 -0.44 0.04 0.00 0.00 177.00 178.28 1xn8 h ASP 23 N 0.26 0.25 0.30 6.66 5.19 -1.93 0.53 116.42 127.69 1xn8 h ASP 23 Ca -0.46 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 55.85 1xn8 h ASP 23 Cb 1.21 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1xn8 h ASP 23 CO 0.58 0.43 -0.21 1.05 -3.12 0.00 0.00 179.24 177.97 1xn8 h GLU 24 N 0.25 0.00 0.11 3.56 4.11 -2.00 -1.94 114.58 118.66 1xn8 h GLU 24 Ca 0.05 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.11 1xn8 h GLU 24 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1xn8 h GLU 24 CO 0.03 0.21 -2.07 1.28 0.07 0.00 0.00 179.01 178.53 1xn8 n LEU 25 N -4.02 2.69 -0.14 3.06 4.77 -0.54 -3.60 117.00 119.22 1xn8 n LEU 25 Ca -0.02 0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1xn8 n LEU 25 Cb 0.28 -1.09 0.02 0.00 -2.33 0.00 0.00 43.42 40.30 1xn8 n LEU 25 CO 0.35 0.87 0.74 -0.07 -1.33 0.00 0.00 177.39 177.94 1xn8 h LEU 26 N 0.06 -0.60 -0.68 2.23 3.38 0.22 0.19 115.31 120.11 1xn8 h LEU 26 Ca -0.45 0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1xn8 h LEU 26 Cb 2.01 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 43.07 1xn8 h LEU 26 CO 0.06 -0.21 0.43 0.07 0.09 0.00 0.00 178.44 178.89 1xn8 h LYS 27 N -0.07 0.82 -0.94 1.13 2.10 -1.53 0.34 116.57 118.42 1xn8 h LYS 27 Ca 0.22 -0.05 0.11 0.00 -2.00 0.00 0.00 60.65 58.93 1xn8 h LYS 27 Cb 0.41 -0.19 -0.07 0.00 -0.90 0.00 0.00 32.23 31.48 1xn8 h LYS 27 CO -0.50 0.55 0.60 1.96 -2.00 0.00 0.00 179.45 180.05 1xn8 h GLN 28 N 0.85 0.88 0.03 0.07 4.20 -0.82 1.64 115.11 121.96 1xn8 h GLN 28 Ca 0.27 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.71 1xn8 h GLN 28 Cb 0.00 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1xn8 h GLN 28 CO -0.10 0.58 -0.97 -0.44 -0.67 0.00 0.00 178.83 177.23 1xn8 h ASP 29 N 0.90 0.30 0.07 1.46 3.32 0.44 -2.62 116.42 120.29 1xn8 h ASP 29 Ca 0.45 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1xn8 h ASP 29 Cb 0.49 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1xn8 h ASP 29 CO -0.22 1.11 -0.03 0.40 -1.72 0.00 0.00 179.24 178.78 1xn8 h ILE 30 N 0.11 1.22 -0.60 0.35 2.04 0.19 -0.49 117.51 120.33 1xn8 h ILE 30 Ca -0.06 -1.13 0.13 0.00 1.00 0.00 0.00 64.86 64.79 1xn8 h ILE 30 Cb 1.64 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.62 1xn8 h ILE 30 CO 0.15 0.27 0.41 -0.07 0.00 0.00 0.00 178.15 178.92 1xn8 h LEU 31 N -0.62 0.23 -0.32 1.44 3.38 0.22 0.40 115.31 120.04 1xn8 h LEU 31 Ca -0.01 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1xn8 h LEU 31 Cb 0.52 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1xn8 h LEU 31 CO 0.02 0.13 -0.80 -0.08 0.09 0.00 0.00 178.44 177.79 1xn8 h GLU 32 N 0.25 0.00 -0.27 1.13 4.81 -1.31 -2.89 114.58 116.29 1xn8 h GLU 32 Ca 0.28 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1xn8 h GLU 32 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1xn8 h GLU 32 CO -0.06 0.80 -0.07 0.00 -0.73 0.00 0.00 179.01 178.96 1xn8 h ALA 33 N 1.20 0.37 -0.14 2.92 0.00 0.14 -2.66 119.26 121.09 1xn8 h ALA 33 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1xn8 h ALA 33 Cb 1.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1xn8 h ALA 33 CO 0.10 0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 1xn8 h THR 34 N 0.28 1.13 -0.51 0.00 1.03 -1.16 -1.30 112.91 112.38 1xn8 h THR 34 Ca 0.07 -0.53 -0.05 0.00 -0.01 0.00 0.00 66.41 65.88 1xn8 h THR 34 Cb 0.54 1.08 -0.02 0.00 -1.07 0.00 0.00 68.15 68.68 1xn8 h THR 34 CO 0.03 0.17 0.11 0.00 -0.01 0.00 0.00 175.52 175.82 1xn8 h ALA 35 N 1.75 1.24 0.04 0.00 0.00 -1.27 0.19 119.26 121.22 1xn8 h ALA 35 Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xn8 h ALA 35 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xn8 h ALA 35 CO 0.01 0.53 -0.02 0.22 0.00 0.00 0.00 179.25 179.98 1xn8 h ASP 36 N 0.76 -0.05 -0.88 0.00 1.82 -0.93 0.21 116.42 117.35 1xn8 h ASP 36 Ca 0.17 -0.39 0.06 0.00 -0.39 0.00 0.00 57.03 56.47 1xn8 h ASP 36 Cb 0.30 0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.26 1xn8 h ASP 36 CO -0.00 0.37 0.57 0.40 -1.61 0.00 0.00 179.24 178.98 1xn8 h ILE 37 N -0.48 1.07 -0.18 2.25 2.04 -1.12 0.25 117.51 121.34 1xn8 h ILE 37 Ca -0.01 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 1xn8 h ILE 37 Cb 0.44 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1xn8 h ILE 37 CO 0.01 0.18 -0.49 0.40 0.00 0.00 0.00 178.15 178.26 1xn8 h ILE 38 N 1.01 1.32 0.00 -0.67 2.04 -0.48 -0.56 117.51 120.16 1xn8 h ILE 38 Ca 0.37 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1xn8 h ILE 38 Cb 0.18 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1xn8 h ILE 38 CO -0.13 0.53 -0.17 -0.07 0.00 0.00 0.00 178.15 178.30 1xn8 h LEU 39 N 0.37 0.00 0.08 1.44 3.38 0.16 1.10 115.31 121.84 1xn8 h LEU 39 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1xn8 h LEU 39 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1xn8 h LEU 39 CO 0.09 0.17 -0.55 0.11 0.09 0.00 0.00 178.44 178.34 1xn8 h LYS 40 N 0.00 0.16 0.00 1.13 1.57 -0.07 -3.30 116.57 116.06 1xn8 h LYS 40 Ca -0.00 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1xn8 h LYS 40 Cb 0.67 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1xn8 h LYS 40 CO 0.02 1.13 -0.48 -0.39 -0.57 0.00 0.00 179.45 179.17 1xn8 h VAL 41 N -0.65 0.95 -2.71 0.50 -1.51 -0.99 -3.42 116.25 108.42 1xn8 h VAL 41 Ca -0.11 -1.95 -0.14 0.00 -1.23 0.00 0.00 66.70 63.28 1xn8 h VAL 41 Cb 1.38 2.19 0.05 0.00 -2.13 0.00 0.00 31.29 32.78 1xn8 h VAL 41 CO 0.07 0.47 -0.24 0.61 -1.23 0.00 0.00 177.57 177.25 1xn8 n GLY 42 N 0.70 0.42 3.65 5.19 0.00 0.37 -3.22 105.19 112.30 1xn8 n GLY 42 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.11 -0.14 0.28 1.61 -3.43 -0.76 -5.03 115.29 104.71 1xn8 s HIS 43 Ca 0.19 0.32 0.03 0.00 -0.80 0.00 0.00 55.06 54.81 1xn8 s HIS 43 Cb -0.08 0.36 0.05 0.00 -1.43 0.00 0.00 32.58 31.48 1xn8 s HIS 43 CO 0.25 -0.07 0.39 -0.40 -2.00 0.00 0.00 174.74 172.91 1xn8 n ASP 44 N 2.12 0.89 -3.78 7.38 5.68 -1.26 -4.66 116.55 122.91 1xn8 n ASP 44 Ca -0.13 -1.67 -0.28 0.00 -0.50 0.00 0.00 54.79 52.22 1xn8 n ASP 44 Cb 0.57 -0.22 -0.12 0.00 -1.14 0.00 0.00 41.12 40.21 1xn8 n ASP 44 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1xn8 s PHE 45 N -0.81 2.95 -0.16 2.11 0.08 -1.26 -4.91 117.98 115.98 1xn8 s PHE 45 Ca 0.29 -3.08 -0.12 0.00 0.12 0.00 0.00 56.93 54.13 1xn8 s PHE 45 Cb -0.02 -2.28 -0.07 0.00 -0.57 0.00 0.00 43.02 40.07 1xn8 s PHE 45 CO 0.18 -0.62 -0.09 -1.13 -0.10 0.00 0.00 175.22 173.47 1xn8 n SER 46 N 2.26 1.82 -4.51 1.36 3.41 -1.26 -4.86 113.62 111.85 1xn8 n SER 46 Ca 0.21 0.58 -0.55 0.00 -0.26 0.00 0.00 58.87 58.84 1xn8 n SER 46 Cb 0.38 -0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 1xn8 n SER 46 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xn8 n ASP 47 N -4.56 1.94 0.14 4.04 8.00 -1.26 -4.74 116.55 120.11 1xn8 n ASP 47 Ca -0.14 0.72 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1xn8 n ASP 47 Cb 0.38 -1.14 0.51 0.00 -0.02 0.00 0.00 41.12 40.85 1xn8 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xn8 n ALA 48 N 7.69 1.31 0.14 2.24 0.00 -1.26 -0.66 120.51 129.97 1xn8 n ALA 48 Ca 0.38 0.14 0.05 0.00 0.00 0.00 0.00 53.44 54.01 1xn8 n ALA 48 Cb 0.14 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.48 1xn8 n ALA 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xn8 n GLU 49 N -2.19 2.85 -2.71 0.00 2.13 -1.26 -4.28 120.64 115.18 1xn8 n GLU 49 Ca 0.00 -1.73 -0.06 0.00 0.66 0.00 0.00 57.16 56.03 1xn8 n GLU 49 Cb 0.11 -1.75 0.09 0.00 0.27 0.00 0.00 31.44 30.16 1xn8 n GLU 49 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1xn8 n TYR 50 N 0.49 -1.95 -3.25 4.31 9.36 0.17 -5.05 117.16 121.24 1xn8 n TYR 50 Ca 0.15 -1.45 -0.25 0.00 3.32 0.00 0.00 57.90 59.68 1xn8 n TYR 50 Cb 0.66 1.41 -0.07 0.00 -0.63 0.00 0.00 39.34 40.71 1xn8 n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1xn8 n ILE 51 N 0.86 0.61 -2.52 2.97 5.41 -1.23 -4.70 119.36 120.76 1xn8 n ILE 51 Ca 0.03 -4.57 -0.37 0.00 1.00 0.00 0.00 62.75 58.83 1xn8 n ILE 51 Cb 0.70 -1.81 -0.04 0.00 -0.71 0.00 0.00 39.64 37.78 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 -1.88 4.27 -0.52 0.38 0.04 -1.26 -5.02 135.00 131.01 1xn8 s PRO 52 Ca 0.38 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.04 1xn8 s PRO 52 Cb 0.19 -2.69 0.15 0.00 0.04 0.00 0.00 34.50 32.19 1xn8 s PRO 52 CO -0.08 -0.06 0.33 -1.17 0.04 0.00 0.00 177.00 176.06 1xn8 s LEU 53 N -2.36 3.21 0.00 -3.56 2.96 -1.26 -5.07 118.68 112.60 1xn8 s LEU 53 Ca 0.55 -3.09 -0.03 0.00 -0.22 0.00 0.00 54.13 51.33 1xn8 s LEU 53 Cb -0.24 -1.15 0.04 0.00 0.50 0.00 0.00 46.19 45.34 1xn8 s LEU 53 CO 0.31 -0.19 0.20 -0.81 -1.32 0.00 0.00 176.35 174.54 1xn8 n PRO 54 N 2.93 -0.78 0.14 0.98 -0.04 -1.26 -4.91 135.00 132.06 1xn8 n PRO 54 Ca 0.15 -0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.41 1xn8 n PRO 54 Cb 0.37 -0.25 0.06 0.00 -0.04 0.00 0.00 33.50 33.64 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 0.24 0.54 4.81 -1.98 -3.14 114.58 115.05 1xn8 h GLU 55 Ca -0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1xn8 h GLU 55 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xn8 h GLU 55 CO 0.05 0.01 -0.12 1.79 -0.73 0.00 0.00 179.01 180.01 1xn8 h THR 56 N 0.00 0.46 0.03 0.32 1.35 -1.93 -1.58 112.91 111.56 1xn8 h THR 56 Ca -0.00 -0.93 0.02 0.00 -0.55 0.00 0.00 66.41 64.95 1xn8 h THR 56 Cb 1.02 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1xn8 h THR 56 CO 0.00 0.12 -0.17 0.58 -0.25 0.00 0.00 175.52 175.80 1xn8 h VAL 57 N -0.99 0.59 -0.58 6.82 2.07 -1.79 0.99 116.25 123.36 1xn8 h VAL 57 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1xn8 h VAL 57 Cb 0.45 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1xn8 h VAL 57 CO 0.05 0.00 0.13 0.03 0.02 0.00 0.00 177.57 177.81 1xn8 h ARG 58 N -0.30 0.26 0.06 1.57 3.08 -1.66 1.29 114.38 118.68 1xn8 h ARG 58 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xn8 h ARG 58 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1xn8 h ARG 58 CO -0.14 0.17 -0.03 1.25 -1.07 0.00 0.00 179.97 180.15 1xn8 h LEU 59 N 0.27 -0.07 -0.85 3.04 5.85 -0.56 0.31 115.31 123.30 1xn8 h LEU 59 Ca 0.30 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1xn8 h LEU 59 Cb 0.44 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1xn8 h LEU 59 CO -0.38 0.20 0.51 0.00 -0.34 0.00 0.00 178.44 178.42 1xn8 h ALA 60 N 0.59 1.20 -0.20 1.25 0.00 0.19 1.05 119.26 123.35 1xn8 h ALA 60 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xn8 h ALA 60 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xn8 h ALA 60 CO 0.01 0.17 0.04 1.25 0.00 0.00 0.00 179.25 180.72 1xn8 h LEU 61 N 0.87 0.32 -1.05 0.00 6.46 0.19 0.90 115.31 122.99 1xn8 h LEU 61 Ca 0.40 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1xn8 h LEU 61 Cb 0.30 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 1xn8 h LEU 61 CO -0.22 0.49 0.30 -0.07 -0.62 0.00 0.00 178.44 178.32 1xn8 h LEU 62 N 0.13 0.88 0.15 2.25 3.38 0.76 0.98 115.31 123.85 1xn8 h LEU 62 Ca 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xn8 h LEU 62 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xn8 h LEU 62 CO 0.00 0.77 -0.07 0.11 0.09 0.00 0.00 178.44 179.34 1xn8 h LYS 63 N 0.96 -0.19 -0.44 1.13 1.57 0.14 -0.46 116.57 119.29 1xn8 h LYS 63 Ca 0.23 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1xn8 h LYS 63 Cb 0.14 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1xn8 h LYS 63 CO -0.03 0.23 0.25 -0.07 -0.57 0.00 0.00 179.45 179.26 1xn8 h LEU 64 N -0.70 0.40 -1.26 2.94 3.38 0.10 0.39 115.31 120.57 1xn8 h LEU 64 Ca -0.02 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1xn8 h LEU 64 Cb 0.51 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1xn8 h LEU 64 CO 0.03 0.28 0.52 0.28 0.09 0.00 0.00 178.44 179.64 1xn8 h SER 65 N 0.50 0.83 -0.15 -0.43 0.02 0.99 0.95 113.55 116.26 1xn8 h SER 65 Ca 0.18 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1xn8 h SER 65 Cb 0.03 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1xn8 h SER 65 CO -0.09 0.58 -0.22 -0.61 -1.14 0.00 0.00 176.83 175.34 1xn8 h GLN 66 N 0.97 0.42 0.12 3.45 4.15 0.14 0.15 115.11 124.51 1xn8 h GLN 66 Ca 0.31 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1xn8 h GLN 66 Cb 0.04 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1xn8 h GLN 66 CO -0.09 0.83 -0.13 0.35 -1.93 0.00 0.00 178.83 177.87 1xn8 h PHE 67 N 0.04 -0.32 0.28 3.99 3.04 0.39 0.40 116.94 124.75 1xn8 h PHE 67 Ca 0.02 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1xn8 h PHE 67 Cb 0.79 0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1xn8 h PHE 67 CO 0.09 -0.19 -0.13 1.88 -2.02 0.00 0.00 178.31 177.94 1xn8 h TYR 68 N -0.28 -0.34 -0.34 0.41 0.05 -0.89 -1.81 116.97 113.78 1xn8 h TYR 68 Ca 0.01 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.88 1xn8 h TYR 68 Cb 0.27 0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1xn8 h TYR 68 CO -0.13 -0.03 0.32 0.00 -1.05 0.00 0.00 178.16 177.27 1xn8 h ALA 69 N -0.05 2.10 0.13 3.88 0.00 -0.64 1.44 119.26 126.12 1xn8 h ALA 69 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xn8 h ALA 69 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xn8 h ALA 69 CO 0.06 -0.49 -0.06 1.25 0.00 0.00 0.00 179.25 180.01 1xn8 h LEU 70 N 0.00 -0.15 -0.60 0.00 5.85 0.17 -3.01 115.31 117.57 1xn8 h LEU 70 Ca 0.16 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1xn8 h LEU 70 Cb 0.79 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1xn8 h LEU 70 CO -0.00 -0.05 0.36 0.16 -0.34 0.00 0.00 178.44 178.57 1xn8 h ILE 71 N -0.28 1.06 -1.14 4.05 3.07 -0.85 -1.07 117.51 122.34 1xn8 h ILE 71 Ca -0.02 -0.24 0.41 0.00 1.55 0.00 0.00 64.86 66.56 1xn8 h ILE 71 Cb 0.13 0.29 -0.15 0.00 -0.27 0.00 0.00 36.82 36.81 1xn8 h ILE 71 CO 0.03 0.13 0.68 0.78 -1.05 0.00 0.00 178.15 178.72 1xn8 h ASN 72 N 0.71 0.32 -2.22 2.16 2.35 0.19 -2.37 115.58 116.71 1xn8 h ASN 72 Ca 0.24 0.20 -0.58 0.00 -0.55 0.00 0.00 56.30 55.62 1xn8 h ASN 72 Cb 0.04 0.19 -0.39 0.00 0.05 0.00 0.00 38.32 38.21 1xn8 h ASN 72 CO -0.11 -0.29 -0.96 0.61 -1.65 0.00 0.00 177.43 175.03 1xn8 n GLY 73 N -1.37 2.99 0.00 2.83 0.00 -0.44 -4.91 105.19 104.29 1xn8 n GLY 73 Ca 0.37 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 1.81 0.71 -3.08 1.61 2.03 -0.89 -4.67 116.55 114.05 1xn8 n ASP 74 Ca 0.25 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.32 1xn8 n ASP 74 Cb 0.48 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.85 1xn8 n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xn8 n GLU 75 N 0.00 2.31 -2.89 -0.67 1.02 -1.26 -4.46 120.64 114.70 1xn8 n GLU 75 Ca 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 57.16 55.57 1xn8 n GLU 75 Cb 0.00 -2.44 0.01 0.00 -0.02 0.00 0.00 31.44 28.98 1xn8 n GLU 75 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xn8 n SER 76 N 3.90 -7.90 -4.80 1.62 2.88 -1.26 -4.52 113.62 103.54 1xn8 n SER 76 Ca 0.49 0.41 -0.31 0.00 -1.33 0.00 0.00 58.87 58.13 1xn8 n SER 76 Cb 0.21 -5.36 -0.06 0.00 -0.75 0.00 0.00 64.21 58.24 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 -2.68 4.72 0.17 2.46 1.01 -1.26 -4.80 121.20 120.82 1xn8 s ILE 77 Ca 0.20 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1xn8 s ILE 77 Cb -0.06 -3.25 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 1xn8 s ILE 77 CO 0.76 0.18 0.49 -0.63 0.00 0.00 0.00 174.94 175.74 1xn8 s ILE 78 N -1.36 4.99 0.00 2.92 1.09 -1.26 -4.97 121.20 122.61 1xn8 s ILE 78 Ca 0.29 0.46 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1xn8 s ILE 78 Cb -0.12 -3.65 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 1xn8 s ILE 78 CO 0.21 0.08 0.00 2.29 -0.10 0.00 0.00 174.94 177.42 1xn8 n LYS 79 N 0.29 0.00 0.00 2.79 0.00 -1.26 -4.16 118.16 115.83 1xn8 n LYS 79 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1xn8 n LYS 79 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 1xn8 n LYS 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xn8 n GLY 80 N 0.00 3.09 0.84 2.58 0.00 -1.26 -5.08 105.19 105.36 1xn8 n GLY 80 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 -1.05 -1.82 1.61 4.11 -1.26 -4.96 117.16 113.79 1xn8 n TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1xn8 n TYR 81 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 39.34 39.55 1xn8 n TYR 81 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1xn8 n THR 82 N -2.10 0.00 -2.00 -3.48 -1.04 -1.26 -5.12 114.28 99.28 1xn8 n THR 82 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xn8 n THR 82 Cb 0.00 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1xn8 n THR 82 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1xn8 n THR 83 N 0.00 0.00 -1.41 12.58 5.66 -1.26 -5.17 114.28 124.68 1xn8 n THR 83 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1xn8 n THR 83 Cb 0.60 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.31 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 -3.20 -1.53 1.09 0.00 -1.26 -4.69 120.64 111.05 1xn8 n GLU 84 Ca 0.00 2.60 -0.51 0.00 0.00 0.00 0.00 57.16 59.25 1xn8 n GLU 84 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 31.44 27.73 1xn8 n GLU 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1xn8 n LYS 85 N -3.96 0.69 0.00 5.31 2.85 -1.26 -4.95 118.16 116.84 1xn8 n LYS 85 Ca -0.07 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1xn8 n LYS 85 Cb 0.60 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 1xn8 n LYS 85 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1xn8 n ILE 86 N 1.25 0.00 -1.33 0.58 5.41 -1.26 -4.73 119.36 119.28 1xn8 n ILE 86 Ca 0.17 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.64 1xn8 n ILE 86 Cb 0.21 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 38.97 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 5.00 -0.44 3.89 7.39 0.00 -1.26 -4.71 105.19 115.06 1xn8 n GLY 87 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 1xn8 n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xn8 s ASP 88 N 3.76 0.02 -0.78 1.61 1.11 -1.26 -5.03 116.67 116.10 1xn8 s ASP 88 Ca 1.18 -0.75 -0.08 0.00 0.18 0.00 0.00 52.55 53.08 1xn8 s ASP 88 Cb -0.92 0.54 -0.07 0.00 1.07 0.00 0.00 42.92 43.54 1xn8 s ASP 88 CO 0.47 -1.08 1.95 -1.22 1.18 0.00 0.00 175.17 176.47 1xn8 n TYR 89 N -0.70 1.28 -2.05 4.23 4.01 -1.26 -3.81 117.16 118.85 1xn8 n TYR 89 Ca -0.03 -1.75 0.03 0.00 -0.16 0.00 0.00 57.90 55.99 1xn8 n TYR 89 Cb 0.59 -1.54 0.04 0.00 -0.31 0.00 0.00 39.34 38.12 1xn8 n TYR 89 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1xn8 n SER 90 N 4.92 0.74 -2.28 7.72 7.64 -1.26 -4.84 113.62 126.26 1xn8 n SER 90 Ca 0.40 -2.27 -0.26 0.00 1.01 0.00 0.00 58.87 57.76 1xn8 n SER 90 Cb 0.17 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.09 1xn8 n SER 90 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xn8 n TYR 91 N -0.06 3.11 -1.32 1.43 4.01 -1.25 -4.00 117.16 119.08 1xn8 n TYR 91 Ca 0.05 -2.73 -0.40 0.00 -0.16 0.00 0.00 57.90 54.66 1xn8 n TYR 91 Cb 0.85 -0.19 0.01 0.00 -0.31 0.00 0.00 39.34 39.70 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 -0.58 0.72 -3.29 -0.72 -1.04 -1.26 -4.09 114.28 104.02 1xn8 n THR 92 Ca 0.41 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.72 1xn8 n THR 92 Cb 0.79 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 1xn8 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn8 s LEU 93 N 3.86 3.39 0.26 -4.42 1.43 -0.53 -4.24 118.68 118.42 1xn8 s LEU 93 Ca 0.60 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1xn8 s LEU 93 Cb -0.55 -2.14 0.29 0.00 0.03 0.00 0.00 46.19 43.82 1xn8 s LEU 93 CO 0.62 -0.85 1.93 1.23 0.23 0.00 0.00 176.35 179.51 1xn8 h GLY 94 N 0.72 1.36 0.39 -3.19 0.00 -1.87 -2.90 103.07 97.58 1xn8 h GLY 94 Ca -0.39 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.42 1xn8 h GLY 94 CO 0.50 0.51 -0.03 -0.55 0.00 0.00 0.00 176.54 176.97 1xn8 h ASP 95 N 1.31 -0.07 0.00 0.19 3.32 -1.95 -3.48 116.42 115.74 1xn8 h ASP 95 Ca 0.35 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1xn8 h ASP 95 Cb -0.13 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1xn8 h ASP 95 CO -0.07 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 1xn8 n GLY 96 N 0.53 0.26 3.48 2.75 0.00 -1.10 -5.16 105.19 105.95 1xn8 n GLY 96 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1xn8 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xn8 s SER 97 N -0.28 3.84 -1.24 1.61 0.01 -1.26 -4.85 113.70 111.53 1xn8 s SER 97 Ca 0.00 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.63 1xn8 s SER 97 Cb 0.00 -0.54 0.19 0.00 0.21 0.00 0.00 66.02 65.88 1xn8 s SER 97 CO 0.00 0.19 1.75 -1.54 0.41 0.00 0.00 173.24 174.05 1xn8 n SER 98 N 0.95 5.30 -4.62 2.44 3.41 -1.26 -1.45 113.62 118.40 1xn8 n SER 98 Ca -0.16 -3.14 -0.51 0.00 -0.26 0.00 0.00 58.87 54.81 1xn8 n SER 98 Cb 0.53 -1.46 -0.06 0.00 -0.26 0.00 0.00 64.21 62.96 1xn8 n SER 98 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1xn8 n LEU 99 N 3.70 2.82 -4.95 1.04 7.94 -1.26 -4.94 117.00 121.35 1xn8 n LEU 99 Ca 0.37 0.79 -0.21 0.00 -1.11 0.00 0.00 56.01 55.86 1xn8 n LEU 99 Cb 0.37 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 1xn8 n LEU 99 CO 0.77 -0.37 -0.05 -1.58 -1.11 0.00 0.00 177.39 175.06 1xn8 s GLN 100 N 4.71 3.32 0.99 1.96 2.00 -1.26 -4.68 119.66 126.70 1xn8 s GLN 100 Ca 0.99 -0.84 -0.16 0.00 -2.00 0.00 0.00 55.36 53.36 1xn8 s GLN 100 Cb -0.81 -2.83 -0.09 0.00 0.80 0.00 0.00 33.01 30.08 1xn8 s GLN 100 CO 0.53 0.38 -0.44 1.63 -0.50 0.00 0.00 175.29 176.89 1xn8 n LYS 101 N -1.40 -0.13 -1.56 1.67 5.02 -1.26 -4.92 118.16 115.58 1xn8 n LYS 101 Ca -0.08 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 1xn8 n LYS 101 Cb 0.57 -1.28 0.07 0.00 -0.02 0.00 0.00 35.03 34.37 1xn8 n LYS 101 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xn8 s PRO 102 N -2.55 2.47 -1.11 1.97 0.04 -1.26 -4.95 135.00 129.62 1xn8 s PRO 102 Ca 0.45 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 1xn8 s PRO 102 Cb -0.18 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.52 1xn8 s PRO 102 CO 0.77 -1.38 1.42 -0.51 0.04 0.00 0.00 177.00 177.34 1xn8 s ASP 103 N -3.86 6.76 -0.04 6.66 1.01 -1.26 -4.54 116.67 121.40 1xn8 s ASP 103 Ca 0.60 -2.23 0.06 0.00 0.71 0.00 0.00 52.55 51.68 1xn8 s ASP 103 Cb -0.14 -2.48 0.09 0.00 1.01 0.00 0.00 42.92 41.40 1xn8 s ASP 103 CO 0.55 -1.12 0.96 1.33 0.21 0.00 0.00 175.17 177.10 1xn8 n VAL 104 N 5.82 0.77 -0.17 -1.27 0.24 -1.26 -4.78 118.33 117.67 1xn8 n VAL 104 Ca 0.35 -0.89 -0.10 0.00 -2.04 0.00 0.00 64.34 61.66 1xn8 n VAL 104 Cb 0.47 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 1.04 0.00 6.34 5.03 -1.99 -1.72 116.97 125.68 1xn8 h TYR 105 Ca 0.00 -0.21 -0.06 0.00 2.58 0.00 0.00 58.73 61.04 1xn8 h TYR 105 Cb 1.05 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1xn8 h TYR 105 CO 0.03 0.98 -0.28 0.00 -1.32 0.00 0.00 178.16 177.57 1xn8 h ALA 106 N 0.91 1.09 -0.28 1.82 0.00 -1.97 0.66 119.26 121.50 1xn8 h ALA 106 Ca 0.13 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1xn8 h ALA 106 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xn8 h ALA 106 CO 0.04 0.36 -0.50 -0.07 0.00 0.00 0.00 179.25 179.07 1xn8 h LEU 107 N 0.00 0.93 0.00 0.00 3.38 -1.77 -2.98 115.31 114.87 1xn8 h LEU 107 Ca -0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1xn8 h LEU 107 Cb 0.72 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xn8 h LEU 107 CO 0.04 1.28 -0.56 0.16 0.09 0.00 0.00 178.44 179.45 1xn8 h ILE 108 N 0.61 0.00 -0.07 1.22 3.07 -0.99 -3.28 117.51 118.06 1xn8 h ILE 108 Ca 0.02 -0.65 0.02 0.00 1.55 0.00 0.00 64.86 65.79 1xn8 h ILE 108 Cb 1.11 1.32 -0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1xn8 h ILE 108 CO 0.11 0.00 0.35 0.50 -1.05 0.00 0.00 178.15 178.06 1xn8 h LYS 109 N 0.00 0.00 0.00 0.16 3.64 0.51 1.49 116.57 122.37 1xn8 h LYS 109 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1xn8 h LYS 109 Cb 0.83 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1xn8 h LYS 109 CO 0.00 0.00 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.41 1xn8 h ASP 110 N 0.00 0.00 -0.98 4.20 5.19 -1.67 -3.24 116.42 119.91 1xn8 h ASP 110 Ca 0.03 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.03 1xn8 h ASP 110 Cb 0.73 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.84 1xn8 h ASP 110 CO -0.00 0.33 -1.03 -1.22 -3.12 0.00 0.00 179.24 174.19 1xn8 n TYR 111 N -3.50 1.87 -4.10 4.55 4.01 0.50 -5.07 117.16 115.43 1xn8 n TYR 111 Ca -0.00 -2.67 -0.35 0.00 -0.16 0.00 0.00 57.90 54.72 1xn8 n TYR 111 Cb 0.48 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 39.17 1xn8 n TYR 111 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xn8 s VAL 112 N -3.99 4.89 -0.93 -0.72 1.01 -0.49 -4.72 120.40 115.44 1xn8 s VAL 112 Ca 0.34 -0.17 -0.32 0.00 0.00 0.00 0.00 61.98 61.84 1xn8 s VAL 112 Cb 0.41 -3.16 -0.21 0.00 0.00 0.00 0.00 36.38 33.42 1xn8 s VAL 112 CO -0.03 0.50 2.64 1.17 0.00 0.00 0.00 175.10 179.38 1xn8 n LYS 113 N 1.66 0.05 -1.36 2.72 4.81 -1.20 -4.86 118.16 119.98 1xn8 n LYS 113 Ca -0.16 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.01 1xn8 n LYS 113 Cb 0.54 -1.59 0.21 0.00 0.02 0.00 0.00 35.03 34.21 1xn8 n LYS 113 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xn8 n PRO 114 N 8.44 -2.06 -3.74 1.64 -0.04 -1.26 -5.02 135.00 132.96 1xn8 n PRO 114 Ca 0.64 -1.75 -0.28 0.00 -0.04 0.00 0.00 63.50 62.07 1xn8 n PRO 114 Cb 0.05 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 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 -4.24 3.65 -3.73 0.55 0.00 -1.26 -5.03 120.51 110.45 1xn8 n ALA 115 Ca -0.19 -4.62 -0.13 0.00 0.00 0.00 0.00 53.44 48.50 1xn8 n ALA 115 Cb 0.53 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.83 -0.22 0.18 0.00 2.15 -1.26 -5.16 116.67 110.53 1xn8 s ASP 116 Ca 0.30 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.74 1xn8 s ASP 116 Cb 0.02 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1xn8 s ASP 116 CO -0.12 -0.16 0.00 -0.81 -0.17 0.00 0.00 175.17 173.91 1xn8 n PRO 117 N 4.21 0.73 -0.96 4.34 -0.04 -1.26 -4.89 135.00 137.13 1xn8 n PRO 117 Ca -0.26 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.02 1xn8 n PRO 117 Cb 0.53 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1xn8 n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xn8 n ASP 118 N -0.54 6.56 0.03 3.54 -0.08 -1.26 -4.18 116.55 120.62 1xn8 n ASP 118 Ca 0.00 -3.12 0.13 0.00 -1.51 0.00 0.00 54.79 50.29 1xn8 n ASP 118 Cb 0.00 -1.07 0.41 0.00 2.34 0.00 0.00 41.12 42.81 1xn8 n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xn8 n LEU 119 N 0.30 0.41 -4.79 -2.67 -0.00 -1.26 -4.86 117.00 104.12 1xn8 n LEU 119 Ca 0.33 0.36 -0.31 0.00 -0.00 0.00 0.00 56.01 56.40 1xn8 n LEU 119 Cb 0.58 -0.35 0.08 0.00 -0.00 0.00 0.00 43.42 43.73 1xn8 n LEU 119 CO 0.41 -0.02 0.70 -0.70 -0.00 0.00 0.00 177.39 177.78 1xn8 s GLU 120 N -3.05 2.42 -1.42 1.47 2.12 -1.26 -3.79 118.70 115.19 1xn8 s GLU 120 Ca 0.11 0.92 -0.09 0.00 0.36 0.00 0.00 54.97 56.27 1xn8 s GLU 120 Cb 0.16 -1.93 0.04 0.00 0.26 0.00 0.00 34.13 32.66 1xn8 s GLU 120 CO 0.62 -1.46 1.02 0.41 -0.54 0.00 0.00 175.26 175.31 1xn8 n GLY 121 N -1.75 -0.48 3.12 -1.50 0.00 -1.26 -4.98 105.19 98.34 1xn8 n GLY 121 Ca 0.08 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.36 0.15 0.00 -0.61 1.01 -1.25 -4.81 121.20 112.34 1xn8 s ILE 122 Ca 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1xn8 s ILE 122 Cb -0.24 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1xn8 s ILE 122 CO 0.78 -0.70 0.00 -0.62 0.00 0.00 0.00 174.94 174.40 1xn8 n GLU 123 N 0.49 -1.10 -0.13 2.79 1.02 -1.26 -4.78 120.64 117.68 1xn8 n GLU 123 Ca -0.17 0.28 -0.27 0.00 -0.02 0.00 0.00 57.16 56.97 1xn8 n GLU 123 Cb 0.60 -4.25 -0.11 0.00 -0.02 0.00 0.00 31.44 27.66 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 1.13 0.04 0.62 0.00 -1.26 -3.77 120.51 118.27 1xn8 n ALA 124 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 1xn8 n ALA 124 Cb 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.88 -0.16 -0.60 0.00 1.63 -1.91 -3.18 116.57 111.48 1xn8 h LYS 125 Ca -0.62 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 59.32 1xn8 h LYS 125 Cb 1.59 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 33.15 1xn8 h LYS 125 CO -0.34 0.30 -0.08 0.28 -3.45 0.00 0.00 179.45 176.16 1xn8 h VAL 126 N -0.76 0.45 -1.07 2.00 2.07 -1.96 1.53 116.25 118.51 1xn8 h VAL 126 Ca -0.02 -0.02 0.31 0.00 0.82 0.00 0.00 66.70 67.80 1xn8 h VAL 126 Cb 0.54 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1xn8 h VAL 126 CO 0.03 0.01 0.79 0.03 0.02 0.00 0.00 177.57 178.44 1xn8 h ARG 127 N 0.05 0.00 0.01 1.57 3.08 -1.65 0.80 114.38 118.25 1xn8 h ARG 127 Ca 0.30 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.99 1xn8 h ARG 127 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 1xn8 h ARG 127 CO -0.57 0.00 -1.99 -1.33 -1.07 0.00 0.00 179.97 175.01 1xn8 n MET 128 N -4.17 0.60 0.22 0.04 2.81 0.29 -2.95 117.12 113.97 1xn8 n MET 128 Ca 0.23 0.37 0.14 0.00 -1.81 0.00 0.00 57.70 56.64 1xn8 n MET 128 Cb 1.15 -1.62 0.77 0.00 -0.71 0.00 0.00 33.22 32.81 1xn8 n MET 128 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xn8 h ARG 129 N -0.78 0.00 0.04 0.03 3.08 0.27 -0.95 114.38 116.07 1xn8 h ARG 129 Ca -0.53 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.15 1xn8 h ARG 129 Cb 1.57 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.57 1xn8 h ARG 129 CO -0.25 0.00 -2.24 0.43 -1.07 0.00 0.00 179.97 176.83 1xn8 n SER 130 N -2.49 1.72 0.00 7.04 7.64 0.27 -5.02 113.62 122.78 1xn8 n SER 130 Ca -0.02 0.04 0.06 0.00 1.01 0.00 0.00 58.87 59.97 1xn8 n SER 130 Cb 0.05 -0.38 0.38 0.00 -1.01 0.00 0.00 64.21 63.25 1xn8 n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03