#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ns2 n GLY 9 N 0.00 0.81 3.40 3.14 0.00 -1.26 -4.60 105.19 106.68 3ns2 n GLY 9 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3ns2 n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ns2 s LEU 10 N 0.00 2.39 0.86 0.99 1.43 -1.26 -4.99 118.68 118.10 3ns2 s LEU 10 Ca 0.00 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 3ns2 s LEU 10 Cb 0.00 -1.17 0.11 0.00 0.03 0.00 0.00 46.19 45.16 3ns2 s LEU 10 CO 0.00 0.14 1.09 0.42 0.23 0.00 0.00 176.35 178.23 3ns2 s THR 11 N -1.44 2.84 0.24 5.49 -4.23 -1.26 -4.82 115.64 112.46 3ns2 s THR 11 Ca 0.18 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 3ns2 s THR 11 Cb -0.09 -2.76 0.16 0.00 1.34 0.00 0.00 72.50 71.15 3ns2 s THR 11 CO 0.08 -0.35 1.81 0.44 -0.54 0.00 0.00 174.62 176.05 3ns2 h ASP 12 N -1.43 0.98 -0.39 3.99 3.32 -2.00 -0.96 116.42 119.92 3ns2 h ASP 12 Ca -0.48 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.30 3ns2 h ASP 12 Cb 1.27 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3ns2 h ASP 12 CO 0.54 0.88 -0.22 -0.33 -1.72 0.00 0.00 179.24 178.40 3ns2 h GLU 13 N 1.03 0.89 -0.42 3.56 3.07 -1.99 -0.72 114.58 119.99 3ns2 h GLU 13 Ca 0.24 -0.37 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 3ns2 h GLU 13 Cb 0.23 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3ns2 h GLU 13 CO -0.02 1.02 0.14 0.93 -1.40 0.00 0.00 179.01 179.68 3ns2 h GLU 14 N 0.77 0.65 -0.58 2.33 5.08 -1.85 -2.00 114.58 118.98 3ns2 h GLU 14 Ca 0.10 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ns2 h GLU 14 Cb 0.76 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3ns2 h GLU 14 CO 0.06 0.63 0.36 1.96 -1.00 0.00 0.00 179.01 181.02 3ns2 h GLN 15 N 0.54 0.79 -0.51 2.33 4.20 -1.01 -0.21 115.11 121.24 3ns2 h GLN 15 Ca 0.14 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3ns2 h GLN 15 Cb 0.24 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3ns2 h GLN 15 CO -0.01 0.56 0.33 -0.22 -0.67 0.00 0.00 178.83 178.82 3ns2 h LYS 16 N 0.79 0.65 -0.35 1.46 3.64 -1.03 -1.16 116.57 120.56 3ns2 h LYS 16 Ca 0.21 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3ns2 h LYS 16 Cb -0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3ns2 h LYS 16 CO -0.04 0.43 -0.16 1.15 -2.27 0.00 0.00 179.45 178.55 3ns2 h THR 17 N 0.66 1.26 -0.00 1.00 2.02 -1.01 -3.02 112.91 113.81 3ns2 h THR 17 Ca 0.19 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.19 3ns2 h THR 17 Cb -0.05 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3ns2 h THR 17 CO -0.06 0.39 -0.18 0.18 0.37 0.00 0.00 175.52 176.22 3ns2 n LEU 18 N -4.15 0.47 -0.11 2.58 4.77 -0.12 -4.27 117.00 116.16 3ns2 n LEU 18 Ca 0.01 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3ns2 n LEU 18 Cb 0.37 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3ns2 n LEU 18 CO 0.42 0.09 0.80 -0.08 -1.33 0.00 0.00 177.39 177.30 3ns2 h GLU 19 N 0.45 0.02 0.00 3.23 4.81 -1.09 -0.37 114.58 121.63 3ns2 h GLU 19 Ca 0.00 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3ns2 h GLU 19 Cb 0.42 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3ns2 h GLU 19 CO 0.00 0.01 -0.41 -1.00 -0.73 0.00 0.00 179.01 176.88 3ns2 h PRO 20 N 0.02 0.00 -0.28 0.92 0.13 -1.81 -0.96 132.00 130.01 3ns2 h PRO 20 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 3ns2 h PRO 20 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 3ns2 h PRO 20 CO -0.38 0.41 0.06 0.28 -0.23 0.00 0.00 178.00 178.14 3ns2 h VAL 21 N 0.00 1.22 -0.38 1.56 2.07 -1.56 -0.46 116.25 118.71 3ns2 h VAL 21 Ca -0.00 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3ns2 h VAL 21 Cb 0.73 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3ns2 h VAL 21 CO 0.05 0.24 0.19 0.40 0.02 0.00 0.00 177.57 178.47 3ns2 h ILE 22 N 0.28 1.16 -0.73 4.57 2.04 -0.85 -0.88 117.51 123.10 3ns2 h ILE 22 Ca 0.09 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 3ns2 h ILE 22 Cb 0.31 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3ns2 h ILE 22 CO 0.00 0.17 0.33 0.11 0.00 0.00 0.00 178.15 178.77 3ns2 h LYS 23 N 0.47 1.05 0.21 2.37 1.79 -1.07 -1.47 116.57 119.92 3ns2 h LYS 23 Ca 0.13 -0.15 -0.34 0.00 -2.18 0.00 0.00 60.65 58.11 3ns2 h LYS 23 Cb 0.10 -0.19 0.02 0.00 -1.58 0.00 0.00 32.23 30.58 3ns2 h LYS 23 CO -0.02 0.82 -1.59 1.15 -1.08 0.00 0.00 179.45 178.73 3ns2 h THR 24 N 1.04 1.13 0.00 -0.16 2.02 -0.85 -3.41 112.91 112.69 3ns2 h THR 24 Ca 0.25 -2.65 -0.05 0.00 0.77 0.00 0.00 66.41 64.73 3ns2 h THR 24 Cb 0.13 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 3ns2 h THR 24 CO -0.03 0.84 -1.39 -1.22 0.37 0.00 0.00 175.52 174.09 3ns2 n TYR 25 N -3.63 0.00 -1.23 3.16 4.01 -0.36 -4.80 117.16 114.32 3ns2 n TYR 25 Ca -0.20 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.60 3ns2 n TYR 25 Cb 1.08 -0.23 0.20 0.00 -0.31 0.00 0.00 39.34 40.08 3ns2 n TYR 25 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3ns2 n HIS 26 N -1.95 0.49 -3.06 -0.72 8.25 -0.55 -4.90 115.22 112.79 3ns2 n HIS 26 Ca -0.05 -1.19 -0.34 0.00 -0.26 0.00 0.00 57.72 55.88 3ns2 n HIS 26 Cb 0.39 -0.29 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 3ns2 n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3ns2 s GLN 27 N -3.02 4.14 0.21 -0.41 -1.52 -1.22 -4.95 119.66 112.89 3ns2 s GLN 27 Ca 0.39 0.83 0.11 0.00 -1.95 0.00 0.00 55.36 54.74 3ns2 s GLN 27 Cb 0.34 -2.53 -0.05 0.00 -0.22 0.00 0.00 33.01 30.55 3ns2 s GLN 27 CO 0.02 0.20 -0.23 -0.59 -0.25 0.00 0.00 175.29 174.44 3ns2 s PHE 28 N -1.87 2.31 -0.25 0.91 -0.12 -1.26 -5.11 117.98 112.59 3ns2 s PHE 28 Ca 0.52 -0.35 -0.19 0.00 -0.05 0.00 0.00 56.93 56.86 3ns2 s PHE 28 Cb -0.12 -1.12 -0.02 0.00 -0.63 0.00 0.00 43.02 41.13 3ns2 s PHE 28 CO 0.18 0.54 0.57 -1.21 -0.05 0.00 0.00 175.22 175.26 3ns2 s GLU 29 N -2.84 4.11 0.40 1.99 2.02 -1.26 -5.04 118.70 118.08 3ns2 s GLU 29 Ca 0.23 0.45 -0.26 0.00 0.02 0.00 0.00 54.97 55.41 3ns2 s GLU 29 Cb -0.07 -3.64 -0.11 0.00 0.10 0.00 0.00 34.13 30.41 3ns2 s GLU 29 CO 0.11 -0.35 1.18 -0.35 0.02 0.00 0.00 175.26 175.87 3ns2 n PRO 30 N 5.51 1.75 -3.47 0.39 -0.04 -1.26 -5.00 135.00 132.88 3ns2 n PRO 30 Ca -0.02 0.62 0.01 0.00 -0.04 0.00 0.00 63.50 64.07 3ns2 n PRO 30 Cb 0.49 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 3ns2 n PRO 30 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3ns2 s ASP 31 N -0.56 -0.91 0.51 3.54 -1.08 -1.26 -5.03 116.67 111.89 3ns2 s ASP 31 Ca 0.61 1.12 0.34 0.00 -0.52 0.00 0.00 52.55 54.09 3ns2 s ASP 31 Cb -0.55 1.98 1.84 0.00 -1.46 0.00 0.00 42.92 44.74 3ns2 s ASP 31 CO 0.58 -0.17 2.03 1.55 0.52 0.00 0.00 175.17 179.69 3ns2 h PRO 32 N 7.80 0.00 -0.01 4.34 0.13 -2.04 -1.62 132.00 140.61 3ns2 h PRO 32 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3ns2 h PRO 32 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ns2 h PRO 32 CO 0.10 0.00 -0.33 0.25 -0.23 0.00 0.00 178.00 177.79 3ns2 n THR 33 N -2.70 0.00 -4.46 1.56 -2.24 -1.26 -4.94 114.28 100.24 3ns2 n THR 33 Ca -0.02 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 3ns2 n THR 33 Cb 0.07 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 3ns2 n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ns2 s THR 34 N -2.54 1.48 0.12 4.28 -4.23 -0.61 -1.12 115.64 113.01 3ns2 s THR 34 Ca 0.22 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 3ns2 s THR 34 Cb 0.19 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 3ns2 s THR 34 CO 0.55 -0.15 -0.14 0.00 -0.54 0.00 0.00 174.62 174.34 3ns2 s THR 36 N -1.99 0.09 0.09 0.00 -4.23 -1.26 -1.32 115.64 107.02 3ns2 s THR 36 Ca 0.08 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.67 3ns2 s THR 36 Cb -0.06 -0.24 0.04 0.00 1.34 0.00 0.00 72.50 73.58 3ns2 s THR 36 CO 0.03 -0.40 0.44 -0.55 -0.54 0.00 0.00 174.62 173.60 3ns2 s SER 37 N -1.21 -0.30 -0.14 3.99 0.15 -0.95 -4.99 113.70 110.25 3ns2 s SER 37 Ca -0.13 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3ns2 s SER 37 Cb -0.08 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 3ns2 s SER 37 CO -0.01 -0.79 -0.20 -0.22 1.20 0.00 0.00 173.24 173.22 3ns2 s LEU 38 N -2.46 2.03 -0.02 3.45 2.96 -1.26 -1.62 118.68 121.77 3ns2 s LEU 38 Ca -0.01 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3ns2 s LEU 38 Cb 0.01 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3ns2 s LEU 38 CO -0.08 0.05 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.26 3ns2 s ILE 39 N 0.95 3.29 0.16 6.68 -1.09 0.58 -4.81 121.20 126.96 3ns2 s ILE 39 Ca -0.04 -0.78 0.10 0.00 -2.23 0.00 0.00 60.65 57.69 3ns2 s ILE 39 Cb -0.15 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 3ns2 s ILE 39 CO -0.04 0.49 -0.22 0.42 -1.23 0.00 0.00 174.94 174.36 3ns2 s THR 40 N -0.86 2.06 -0.14 2.92 -4.23 -1.26 -0.84 115.64 113.29 3ns2 s THR 40 Ca 0.14 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.71 3ns2 s THR 40 Cb -0.11 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.87 3ns2 s THR 40 CO 0.04 -0.15 0.30 -1.58 -0.54 0.00 0.00 174.62 172.69 3ns2 s GLN 41 N -2.51 0.21 -0.09 3.99 2.00 -0.16 -4.99 119.66 118.10 3ns2 s GLN 41 Ca 0.16 0.74 -0.20 0.00 -2.00 0.00 0.00 55.36 54.07 3ns2 s GLN 41 Cb -0.08 -0.00 -0.04 0.00 0.80 0.00 0.00 33.01 33.69 3ns2 s GLN 41 CO 0.07 -0.24 0.54 0.50 -0.50 0.00 0.00 175.29 175.66 3ns2 s ARG 42 N 2.05 4.35 -0.09 1.67 3.52 -1.26 -0.62 118.95 128.57 3ns2 s ARG 42 Ca -0.03 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 3ns2 s ARG 42 Cb -0.11 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 3ns2 s ARG 42 CO -0.10 0.16 -0.14 0.42 -0.81 0.00 0.00 175.30 174.84 3ns2 s ILE 43 N 0.57 1.32 -1.38 4.11 1.01 0.13 -5.00 121.20 121.95 3ns2 s ILE 43 Ca 0.29 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 3ns2 s ILE 43 Cb -0.16 -1.21 0.09 0.00 0.01 0.00 0.00 42.46 41.19 3ns2 s ILE 43 CO 0.13 0.40 2.22 1.41 0.00 0.00 0.00 174.94 179.10 3ns2 n HIS 44 N 4.01 2.94 -3.66 3.97 8.25 -1.26 -0.72 115.22 128.74 3ns2 n HIS 44 Ca -0.20 -2.89 -0.11 0.00 -0.26 0.00 0.00 57.72 54.26 3ns2 n HIS 44 Cb 0.52 -2.16 -0.05 0.00 1.12 0.00 0.00 29.99 29.41 3ns2 n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ns2 s ALA 45 N 1.05 -0.86 0.58 -1.41 0.00 -1.26 -4.81 121.76 115.05 3ns2 s ALA 45 Ca 0.49 -0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 3ns2 s ALA 45 Cb 0.14 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3ns2 s ALA 45 CO -0.05 -0.59 1.14 -2.14 0.00 0.00 0.00 175.76 174.12 3ns2 s PRO 46 N -3.55 3.15 0.50 0.00 0.02 -1.26 -2.90 135.00 130.96 3ns2 s PRO 46 Ca 0.02 1.60 0.22 0.00 0.02 0.00 0.00 61.00 62.85 3ns2 s PRO 46 Cb 0.02 -1.98 1.32 0.00 0.02 0.00 0.00 34.50 33.87 3ns2 s PRO 46 CO -0.10 -1.01 2.07 0.00 -0.33 0.00 0.00 177.00 177.63 3ns2 h ALA 47 N 0.86 1.53 0.00 -1.55 0.00 -1.91 -0.61 119.26 117.58 3ns2 h ALA 47 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ns2 h ALA 47 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ns2 h ALA 47 CO 0.56 0.15 0.00 0.66 0.00 0.00 0.00 179.25 180.62 3ns2 h SER 48 N 0.00 0.00 0.10 0.00 4.64 -1.99 -0.02 113.55 116.29 3ns2 h SER 48 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3ns2 h SER 48 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 3ns2 h SER 48 CO 0.02 0.00 -2.18 0.52 -0.87 0.00 0.00 176.83 174.31 3ns2 n VAL 49 N -2.78 1.63 -0.07 0.95 0.31 -0.28 -4.46 118.33 113.63 3ns2 n VAL 49 Ca -0.00 -0.65 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 3ns2 n VAL 49 Cb 0.19 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 3ns2 n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ns2 h VAL 50 N 0.03 1.33 -0.38 2.52 2.07 -1.15 -3.34 116.25 117.33 3ns2 h VAL 50 Ca -0.48 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 65.76 3ns2 h VAL 50 Cb 2.00 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 33.48 3ns2 h VAL 50 CO 0.02 0.40 0.08 -0.25 0.02 0.00 0.00 177.57 177.84 3ns2 h TRP 51 N 0.13 0.13 -0.39 1.57 2.91 -1.24 -2.57 115.95 116.49 3ns2 h TRP 51 Ca 0.03 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.15 3ns2 h TRP 51 Cb 0.72 -0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 3ns2 h TRP 51 CO 0.08 0.02 0.27 -1.35 -1.03 0.00 0.00 178.44 176.43 3ns2 h PRO 52 N 0.20 0.20 -0.76 2.65 0.11 -1.78 0.81 132.00 133.43 3ns2 h PRO 52 Ca 0.18 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.30 3ns2 h PRO 52 Cb 0.21 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3ns2 h PRO 52 CO -0.23 0.13 0.49 -0.07 -0.21 0.00 0.00 178.00 178.11 3ns2 h LEU 53 N 0.21 0.81 0.02 2.35 3.38 -1.61 -2.22 115.31 118.25 3ns2 h LEU 53 Ca 0.18 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 3ns2 h LEU 53 Cb 0.44 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ns2 h LEU 53 CO -0.03 0.56 -1.15 0.40 0.09 0.00 0.00 178.44 178.31 3ns2 h ILE 54 N 0.96 1.38 0.00 1.22 2.04 -1.16 -3.29 117.51 118.66 3ns2 h ILE 54 Ca 0.30 -2.63 -0.05 0.00 1.00 0.00 0.00 64.86 63.48 3ns2 h ILE 54 Cb -0.01 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3ns2 h ILE 54 CO -0.10 0.79 -0.22 -0.09 0.00 0.00 0.00 178.15 178.53 3ns2 h ARG 55 N 0.20 0.00 -5.91 2.37 9.65 -0.80 -3.37 114.38 116.52 3ns2 h ARG 55 Ca -0.14 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.21 3ns2 h ARG 55 Cb 1.83 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 30.33 3ns2 h ARG 55 CO 0.20 0.22 1.48 0.50 2.80 0.00 0.00 179.97 185.18 3ns2 s ARG 56 N -3.54 3.38 0.47 0.20 6.06 -0.85 -4.81 118.95 119.86 3ns2 s ARG 56 Ca 0.01 -1.18 0.15 0.00 -2.50 0.00 0.00 55.73 52.21 3ns2 s ARG 56 Cb 0.09 -5.34 1.08 0.00 0.06 0.00 0.00 34.95 30.85 3ns2 s ARG 56 CO 0.64 -2.63 2.04 0.35 -2.50 0.00 0.00 175.30 173.20 3ns2 h PHE 57 N 9.53 0.00 -0.01 5.12 3.57 -1.86 -2.16 116.94 131.13 3ns2 h PHE 57 Ca 0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3ns2 h PHE 57 Cb 0.97 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3ns2 h PHE 57 CO 1.30 0.13 0.00 -0.40 -2.23 0.00 0.00 178.31 177.11 3ns2 n ASP 58 N -4.37 0.43 -2.62 0.41 3.85 -1.26 -4.25 116.55 108.73 3ns2 n ASP 58 Ca -0.03 -1.21 -0.17 0.00 -0.71 0.00 0.00 54.79 52.67 3ns2 n ASP 58 Cb 0.20 -0.01 0.01 0.00 -1.35 0.00 0.00 41.12 39.98 3ns2 n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3ns2 n ASN 59 N -0.63 2.81 0.25 -1.12 4.05 -0.81 -4.59 115.26 115.22 3ns2 n ASN 59 Ca 0.21 -3.16 0.17 0.00 0.45 0.00 0.00 54.58 52.25 3ns2 n ASN 59 Cb 0.17 -0.51 0.74 0.00 1.23 0.00 0.00 39.78 41.42 3ns2 n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3ns2 h PRO 60 N 2.83 0.00 -0.12 1.20 0.13 -1.74 -2.75 132.00 131.55 3ns2 h PRO 60 Ca 0.08 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.24 3ns2 h PRO 60 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3ns2 h PRO 60 CO 0.65 0.00 0.17 0.93 -0.23 0.00 0.00 178.00 179.51 3ns2 h GLU 61 N 0.00 0.00 0.00 0.86 3.07 -1.89 0.30 114.58 116.93 3ns2 h GLU 61 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3ns2 h GLU 61 Cb 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3ns2 h GLU 61 CO 0.00 0.00 -0.09 0.00 -1.40 0.00 0.00 179.01 177.52 3ns2 h ARG 62 N 0.00 0.00 0.00 2.33 3.08 -1.88 -3.31 114.38 114.59 3ns2 h ARG 62 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3ns2 h ARG 62 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ns2 h ARG 62 CO -0.00 0.09 0.00 2.48 -1.07 0.00 0.00 179.97 181.47 3ns2 n TYR 63 N -3.32 0.00 -4.89 3.04 0.18 -0.61 -4.79 117.16 106.78 3ns2 n TYR 63 Ca -0.01 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.46 3ns2 n TYR 63 Cb 0.29 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.11 3ns2 n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3ns2 s LYS 64 N -0.04 2.22 0.65 -3.48 1.02 -0.00 -3.85 119.74 116.25 3ns2 s LYS 64 Ca 0.00 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 55.05 3ns2 s LYS 64 Cb 0.00 -2.21 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3ns2 s LYS 64 CO 0.00 0.57 0.97 -1.01 -0.92 0.00 0.00 175.35 174.96 3ns2 s HIS 65 N -0.79 3.08 0.00 3.18 3.76 -1.26 -4.28 115.29 118.98 3ns2 s HIS 65 Ca 0.12 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 3ns2 s HIS 65 Cb -0.10 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.60 3ns2 s HIS 65 CO 0.02 -1.14 0.00 1.19 -0.85 0.00 0.00 174.74 173.96 3ns2 n PHE 66 N -2.78 0.00 -3.64 1.40 3.72 -1.26 -4.93 117.46 109.97 3ns2 n PHE 66 Ca 0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.08 3ns2 n PHE 66 Cb 0.59 -1.43 -0.12 0.00 -0.94 0.00 0.00 39.48 37.59 3ns2 n PHE 66 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ns2 s VAL 67 N -1.32 4.72 -0.07 -4.37 1.01 -1.26 -1.17 120.40 117.95 3ns2 s VAL 67 Ca 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.76 3ns2 s VAL 67 Cb 0.00 -3.38 -0.23 0.00 0.00 0.00 0.00 36.38 32.76 3ns2 s VAL 67 CO 0.00 0.09 0.57 1.17 0.00 0.00 0.00 175.10 176.94 3ns2 n LYS 68 N 5.00 0.65 -3.60 2.72 4.81 0.14 -4.85 118.16 123.03 3ns2 n LYS 68 Ca -0.14 0.27 -0.10 0.00 -0.87 0.00 0.00 58.31 57.47 3ns2 n LYS 68 Cb 0.50 -1.76 -0.06 0.00 0.02 0.00 0.00 35.03 33.73 3ns2 n LYS 68 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3ns2 s ARG 69 N -2.58 0.58 -0.08 1.64 3.52 -1.22 -4.97 118.95 115.84 3ns2 s ARG 69 Ca -0.07 0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 55.80 3ns2 s ARG 69 Cb 0.08 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.77 3ns2 s ARG 69 CO 0.82 -0.14 0.21 0.00 -0.81 0.00 0.00 175.30 175.37 3ns2 s ARG 71 N 0.35 0.58 -0.00 0.00 1.70 -0.79 -4.92 118.95 115.87 3ns2 s ARG 71 Ca -0.02 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.32 3ns2 s ARG 71 Cb -0.03 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3ns2 s ARG 71 CO -0.01 -0.15 0.97 -0.51 -1.08 0.00 0.00 175.30 174.52 3ns2 s LEU 72 N -1.91 4.37 0.00 -1.89 1.43 -1.26 -0.18 118.68 119.24 3ns2 s LEU 72 Ca -0.08 1.64 0.14 0.00 -1.03 0.00 0.00 54.13 54.81 3ns2 s LEU 72 Cb -0.03 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.53 3ns2 s LEU 72 CO -0.03 -0.26 0.66 2.30 0.23 0.00 0.00 176.35 179.26 3ns2 n ILE 73 N 3.91 0.00 -3.68 -0.59 -5.35 -0.09 -4.92 119.36 108.64 3ns2 n ILE 73 Ca 0.06 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 3ns2 n ILE 73 Cb 0.51 1.05 -0.09 0.00 -1.74 0.00 0.00 39.64 39.38 3ns2 n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3ns2 s SER 74 N -2.17 -0.59 0.00 7.28 0.15 -1.03 -4.96 113.70 112.37 3ns2 s SER 74 Ca 0.07 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.86 3ns2 s SER 74 Cb 0.11 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 3ns2 s SER 74 CO 0.52 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.37 3ns2 n GLY 75 N 2.83 -2.32 0.00 9.45 0.00 -1.26 -1.03 105.19 112.85 3ns2 n GLY 75 Ca -0.14 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3ns2 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ns2 n ASP 76 N -0.19 0.68 0.00 1.61 8.00 -1.26 -4.92 116.55 120.47 3ns2 n ASP 76 Ca 0.00 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3ns2 n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3ns2 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ns2 n GLY 77 N -0.14 1.05 3.99 0.44 0.00 -1.26 -5.07 105.19 104.19 3ns2 n GLY 77 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3ns2 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ns2 s ASP 78 N -1.02 4.74 0.22 1.61 -0.00 -1.26 -4.77 116.67 116.18 3ns2 s ASP 78 Ca 0.00 -0.24 -0.31 0.00 -0.00 0.00 0.00 52.55 52.00 3ns2 s ASP 78 Cb 0.00 -0.34 -0.14 0.00 -0.00 0.00 0.00 42.92 42.44 3ns2 s ASP 78 CO 0.00 -1.57 1.23 0.52 -0.00 0.00 0.00 175.17 175.35 3ns2 n VAL 79 N -2.63 1.13 0.00 -1.27 0.31 -1.26 -1.16 118.33 113.45 3ns2 n VAL 79 Ca 0.12 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3ns2 n VAL 79 Cb 0.60 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 3ns2 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ns2 n GLY 80 N 1.89 1.83 3.76 2.92 0.00 0.42 -5.02 105.19 110.98 3ns2 n GLY 80 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3ns2 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ns2 s SER 81 N -1.53 5.53 -0.08 1.61 0.01 -0.31 -4.73 113.70 114.19 3ns2 s SER 81 Ca 0.00 2.58 0.02 0.00 1.31 0.00 0.00 55.95 59.86 3ns2 s SER 81 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3ns2 s SER 81 CO 0.00 -1.38 -0.15 -0.69 0.41 0.00 0.00 173.24 171.44 3ns2 s VAL 82 N -1.41 1.37 0.13 3.43 1.01 -0.20 -0.71 120.40 124.01 3ns2 s VAL 82 Ca 0.70 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3ns2 s VAL 82 Cb -0.36 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3ns2 s VAL 82 CO 0.42 0.41 -0.02 0.00 0.00 0.00 0.00 175.10 175.91 3ns2 s ARG 83 N 0.72 2.40 -0.21 2.72 1.70 0.76 -0.91 118.95 126.12 3ns2 s ARG 83 Ca -0.13 -0.99 -0.03 0.00 -0.47 0.00 0.00 55.73 54.11 3ns2 s ARG 83 Cb -0.16 -2.42 -0.01 0.00 -0.57 0.00 0.00 34.95 31.80 3ns2 s ARG 83 CO 0.03 0.50 -0.06 -2.00 -1.08 0.00 0.00 175.30 172.69 3ns2 s GLU 84 N -2.56 3.36 -0.11 3.89 2.12 0.75 -0.74 118.70 125.42 3ns2 s GLU 84 Ca 0.26 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.95 3ns2 s GLU 84 Cb -0.11 -2.94 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 3ns2 s GLU 84 CO 0.17 -0.14 -0.11 0.08 -0.54 0.00 0.00 175.26 174.72 3ns2 s VAL 85 N 1.32 3.26 -0.23 3.70 1.01 0.15 -1.88 120.40 127.73 3ns2 s VAL 85 Ca 0.04 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3ns2 s VAL 85 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3ns2 s VAL 85 CO -0.03 0.54 0.44 -0.89 0.00 0.00 0.00 175.10 175.16 3ns2 s THR 86 N -0.00 5.15 -0.08 3.92 2.01 0.43 0.19 115.64 127.26 3ns2 s THR 86 Ca -0.03 0.77 0.04 0.00 0.31 0.00 0.00 61.69 62.78 3ns2 s THR 86 Cb -0.14 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 3ns2 s THR 86 CO 0.04 0.18 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.25 3ns2 s VAL 87 N 1.73 2.40 0.07 3.82 1.01 -0.20 0.23 120.40 129.46 3ns2 s VAL 87 Ca 0.20 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3ns2 s VAL 87 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3ns2 s VAL 87 CO 0.09 0.56 -0.03 0.27 0.00 0.00 0.00 175.10 175.99 3ns2 s ILE 88 N -0.06 3.85 0.00 2.22 -4.36 -0.32 -1.84 121.20 120.70 3ns2 s ILE 88 Ca -0.05 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 3ns2 s ILE 88 Cb -0.14 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.77 3ns2 s ILE 88 CO 0.04 0.17 0.00 -1.54 0.24 0.00 0.00 174.94 173.86 3ns2 n SER 89 N 0.79 0.00 -0.08 4.36 3.41 -1.26 -4.77 113.62 116.07 3ns2 n SER 89 Ca -0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.44 3ns2 n SER 89 Cb 0.52 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.62 3ns2 n SER 89 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ns2 h GLY 90 N 0.00 0.78 -1.13 5.00 0.00 -2.04 -3.44 103.07 102.24 3ns2 h GLY 90 Ca 0.00 -0.58 -0.49 0.00 0.00 0.00 0.00 47.33 46.26 3ns2 h GLY 90 CO 0.00 0.53 0.39 1.08 0.00 0.00 0.00 176.54 178.54 3ns2 s LEU 91 N -9.00 2.99 0.69 3.11 1.43 -1.26 -5.01 118.68 111.62 3ns2 s LEU 91 Ca -0.09 1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.98 3ns2 s LEU 91 Cb 0.14 -3.97 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 3ns2 s LEU 91 CO 0.81 -1.24 0.90 -2.65 0.23 0.00 0.00 176.35 174.40 3ns2 n PRO 92 N -2.92 0.58 -1.62 1.29 -0.02 -1.26 -4.85 135.00 126.19 3ns2 n PRO 92 Ca 0.06 0.25 -0.45 0.00 -2.02 0.00 0.00 63.50 61.34 3ns2 n PRO 92 Cb 0.57 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 3ns2 n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ns2 n ALA 93 N -2.28 0.20 -2.49 3.55 0.00 -1.26 -4.76 120.51 113.47 3ns2 n ALA 93 Ca 0.13 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.74 3ns2 n ALA 93 Cb 0.49 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 3ns2 n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ns2 s SER 94 N -0.25 2.75 -0.07 0.00 1.04 -0.76 -4.97 113.70 111.44 3ns2 s SER 94 Ca 0.63 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.70 3ns2 s SER 94 Cb -0.69 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 3ns2 s SER 94 CO 0.57 -0.57 -0.13 -0.89 0.98 0.00 0.00 173.24 173.20 3ns2 s THR 95 N -3.15 3.18 -0.12 2.02 2.01 -1.26 -1.03 115.64 117.29 3ns2 s THR 95 Ca 0.36 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3ns2 s THR 95 Cb 0.09 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.34 3ns2 s THR 95 CO 0.16 0.58 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.93 3ns2 s SER 96 N -0.50 2.73 -0.20 3.53 0.15 0.13 -2.36 113.70 117.18 3ns2 s SER 96 Ca 0.07 -0.50 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 3ns2 s SER 96 Cb -0.12 -1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.91 3ns2 s SER 96 CO 0.02 0.05 0.05 -0.89 1.20 0.00 0.00 173.24 173.67 3ns2 s THR 97 N 0.85 4.50 -0.01 6.45 2.01 -0.28 0.30 115.64 129.45 3ns2 s THR 97 Ca -0.08 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.81 3ns2 s THR 97 Cb -0.15 -3.05 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 3ns2 s THR 97 CO -0.00 0.42 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.67 3ns2 s GLU 98 N 0.77 0.69 -0.07 4.92 2.02 0.08 -0.07 118.70 127.04 3ns2 s GLU 98 Ca 0.03 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.79 3ns2 s GLU 98 Cb -0.14 -0.67 -0.02 0.00 0.10 0.00 0.00 34.13 33.41 3ns2 s GLU 98 CO 0.02 0.13 -0.17 0.50 0.02 0.00 0.00 175.26 175.76 3ns2 s ARG 99 N 0.00 2.72 -0.30 1.61 3.52 0.05 -0.17 118.95 126.37 3ns2 s ARG 99 Ca 0.00 -0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 54.56 3ns2 s ARG 99 Cb -0.05 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 30.98 3ns2 s ARG 99 CO -0.00 0.46 1.09 -1.17 -0.81 0.00 0.00 175.30 174.86 3ns2 s LEU 100 N -0.31 3.96 -0.13 -0.88 2.96 0.11 -1.81 118.68 122.58 3ns2 s LEU 100 Ca 0.02 1.12 0.19 0.00 -0.22 0.00 0.00 54.13 55.24 3ns2 s LEU 100 Cb -0.13 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.75 3ns2 s LEU 100 CO 0.03 -0.86 0.22 -0.62 -1.32 0.00 0.00 176.35 173.80 3ns2 n GLU 101 N 6.82 0.74 -3.64 1.98 -0.58 0.17 -0.44 120.64 125.69 3ns2 n GLU 101 Ca 0.12 -0.08 -0.08 0.00 -0.42 0.00 0.00 57.16 56.70 3ns2 n GLU 101 Cb 0.47 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.77 3ns2 n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3ns2 s PHE 102 N -2.87 -0.69 -0.02 -0.32 5.36 -1.14 -4.86 117.98 113.44 3ns2 s PHE 102 Ca -0.09 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 3ns2 s PHE 102 Cb 0.09 0.40 0.02 0.00 -0.34 0.00 0.00 43.02 43.19 3ns2 s PHE 102 CO 0.83 -0.34 0.01 0.08 -1.46 0.00 0.00 175.22 174.33 3ns2 s VAL 103 N 0.87 0.09 -0.22 3.12 1.01 -1.26 -0.97 120.40 123.05 3ns2 s VAL 103 Ca -0.04 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3ns2 s VAL 103 Cb -0.05 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.21 3ns2 s VAL 103 CO -0.10 0.10 -0.07 -0.62 0.00 0.00 0.00 175.10 174.41 3ns2 s ASP 104 N 0.78 3.65 0.18 3.32 3.68 0.06 -4.99 116.67 123.35 3ns2 s ASP 104 Ca -0.07 -1.05 0.01 0.00 2.13 0.00 0.00 52.55 53.57 3ns2 s ASP 104 Cb -0.10 -1.18 0.07 0.00 -1.45 0.00 0.00 42.92 40.26 3ns2 s ASP 104 CO -0.02 -0.20 1.44 0.44 0.13 0.00 0.00 175.17 176.96 3ns2 h ASP 105 N 7.97 0.34 -0.31 -0.34 3.32 -1.97 0.13 116.42 125.57 3ns2 h ASP 105 Ca -0.21 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3ns2 h ASP 105 Cb 1.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3ns2 h ASP 105 CO 0.43 0.98 -0.00 0.44 -1.72 0.00 0.00 179.24 179.37 3ns2 h ASP 106 N 0.18 0.53 0.05 6.45 3.32 -1.97 -3.05 116.42 121.93 3ns2 h ASP 106 Ca -0.03 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3ns2 h ASP 106 Cb 1.34 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ns2 h ASP 106 CO 0.12 0.71 -0.16 1.41 -1.72 0.00 0.00 179.24 179.61 3ns2 n HIS 107 N -4.56 0.00 -3.49 4.55 8.25 -1.22 -4.98 115.22 113.78 3ns2 n HIS 107 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 3ns2 n HIS 107 Cb 0.26 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.39 3ns2 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ns2 n ARG 108 N 0.17 -2.75 -5.04 -0.41 1.74 0.36 -4.38 116.66 106.34 3ns2 n ARG 108 Ca 0.14 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.62 3ns2 n ARG 108 Cb 0.43 -5.16 -0.16 0.00 -1.02 0.00 0.00 32.46 26.54 3ns2 n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ns2 s VAL 109 N -3.47 1.73 -0.02 1.55 1.01 -0.63 -0.99 120.40 119.60 3ns2 s VAL 109 Ca 0.34 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3ns2 s VAL 109 Cb -0.08 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3ns2 s VAL 109 CO 0.79 0.49 -0.03 -0.22 0.00 0.00 0.00 175.10 176.13 3ns2 s LEU 110 N -0.04 1.64 0.01 3.92 0.20 -0.11 -0.76 118.68 123.55 3ns2 s LEU 110 Ca -0.04 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.76 3ns2 s LEU 110 Cb -0.13 -0.25 -0.02 0.00 -0.43 0.00 0.00 46.19 45.37 3ns2 s LEU 110 CO 0.03 -0.01 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.37 3ns2 s SER 111 N 0.40 1.91 0.11 3.68 0.15 -0.14 -0.78 113.70 119.02 3ns2 s SER 111 Ca -0.04 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.22 3ns2 s SER 111 Cb -0.07 -0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 3ns2 s SER 111 CO -0.01 0.15 0.06 0.72 1.20 0.00 0.00 173.24 175.36 3ns2 s PHE 112 N -0.56 0.67 0.03 3.44 -0.12 -0.65 -0.66 117.98 120.13 3ns2 s PHE 112 Ca 0.05 -1.10 0.01 0.00 -0.05 0.00 0.00 56.93 55.85 3ns2 s PHE 112 Cb -0.07 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.91 3ns2 s PHE 112 CO 0.00 -0.50 -0.06 -0.98 -0.05 0.00 0.00 175.22 173.64 3ns2 s ARG 113 N -3.99 0.44 0.13 1.99 1.70 -0.75 -1.30 118.95 117.17 3ns2 s ARG 113 Ca 0.17 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 3ns2 s ARG 113 Cb 0.07 -0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 34.27 3ns2 s ARG 113 CO -0.03 0.01 0.99 0.08 -1.08 0.00 0.00 175.30 175.27 3ns2 s VAL 114 N -1.44 4.33 -0.05 4.99 1.01 0.00 -0.77 120.40 128.47 3ns2 s VAL 114 Ca -0.12 1.96 0.03 0.00 0.00 0.00 0.00 61.98 63.85 3ns2 s VAL 114 Cb -0.10 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3ns2 s VAL 114 CO -0.00 0.32 0.08 1.33 0.00 0.00 0.00 175.10 176.82 3ns2 n VAL 115 N 2.64 0.00 -3.79 2.92 0.24 0.90 -4.73 118.33 116.51 3ns2 n VAL 115 Ca 0.02 -0.21 -0.03 0.00 -2.04 0.00 0.00 64.34 62.08 3ns2 n VAL 115 Cb 0.48 0.66 -0.00 0.00 -1.47 0.00 0.00 33.84 33.51 3ns2 n VAL 115 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ns2 s GLY 116 N -1.88 -0.11 0.00 7.63 0.00 -1.14 -5.00 107.32 106.81 3ns2 s GLY 116 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 3ns2 s GLY 116 CO 0.11 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.63 3ns2 n GLY 117 N -0.55 2.81 3.50 0.20 0.00 -1.26 -1.13 105.19 108.77 3ns2 n GLY 117 Ca -0.05 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 3ns2 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ns2 s GLU 118 N -2.29 3.28 -0.22 1.61 2.02 -0.99 -5.00 118.70 117.11 3ns2 s GLU 118 Ca 0.00 -0.41 -0.19 0.00 0.02 0.00 0.00 54.97 54.39 3ns2 s GLU 118 Cb 0.00 -4.03 0.06 0.00 0.10 0.00 0.00 34.13 30.26 3ns2 s GLU 118 CO 0.00 -1.30 0.59 -3.38 0.02 0.00 0.00 175.26 171.18 3ns2 s HIS 119 N 3.37 -0.71 0.17 1.61 -3.43 -1.26 -4.29 115.29 110.75 3ns2 s HIS 119 Ca 0.25 1.63 -0.11 0.00 -0.80 0.00 0.00 55.06 56.04 3ns2 s HIS 119 Cb -0.14 0.29 0.05 0.00 -1.43 0.00 0.00 32.58 31.34 3ns2 s HIS 119 CO 0.18 -0.35 1.63 -0.09 -2.00 0.00 0.00 174.74 174.11 3ns2 h ARG 120 N 5.69 0.97 -5.77 -0.38 2.43 -2.02 -3.40 114.38 111.90 3ns2 h ARG 120 Ca -0.29 -0.30 -0.61 0.00 -0.81 0.00 0.00 59.98 57.97 3ns2 h ARG 120 Cb 1.18 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 3ns2 h ARG 120 CO 0.15 0.96 0.39 -0.51 -1.51 0.00 0.00 179.97 179.46 3ns2 s LEU 121 N -9.40 4.10 0.08 3.80 1.43 -1.26 -4.78 118.68 112.64 3ns2 s LEU 121 Ca -0.12 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3ns2 s LEU 121 Cb 0.13 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 3ns2 s LEU 121 CO 0.84 -0.65 0.17 -0.54 0.23 0.00 0.00 176.35 176.40 3ns2 s LYS 122 N 2.99 3.24 -1.45 1.70 -0.14 -1.26 -4.59 119.74 120.23 3ns2 s LYS 122 Ca 0.32 -0.54 -0.04 0.00 -1.36 0.00 0.00 55.97 54.34 3ns2 s LYS 122 Cb -0.14 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 3ns2 s LYS 122 CO 0.14 0.59 0.55 0.09 -0.76 0.00 0.00 175.35 175.96 3ns2 n ASN 123 N 0.27 -5.81 -4.74 2.83 3.02 -1.26 -1.16 115.26 108.40 3ns2 n ASN 123 Ca -0.06 -0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 3ns2 n ASN 123 Cb 0.51 -4.64 -0.02 0.00 -0.61 0.00 0.00 39.78 35.02 3ns2 n ASN 123 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ns2 s TYR 124 N -3.13 2.93 0.01 3.10 5.04 -1.26 -4.47 117.35 119.56 3ns2 s TYR 124 Ca 0.27 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 3ns2 s TYR 124 Cb -0.12 -3.95 -0.01 0.00 0.35 0.00 0.00 41.96 38.23 3ns2 s TYR 124 CO 0.34 -3.24 -0.01 0.15 -1.34 0.00 0.00 175.55 171.45 3ns2 s LYS 125 N -0.01 0.14 0.02 4.97 1.02 -0.53 -0.82 119.74 124.54 3ns2 s LYS 125 Ca 0.64 -0.24 -0.10 0.00 0.02 0.00 0.00 55.97 56.28 3ns2 s LYS 125 Cb -0.45 0.01 0.01 0.00 -0.52 0.00 0.00 37.83 36.88 3ns2 s LYS 125 CO 0.42 -0.01 0.21 -1.54 -0.92 0.00 0.00 175.35 173.50 3ns2 s SER 126 N -0.56 -0.01 -0.06 2.83 1.04 -0.42 -1.30 113.70 115.21 3ns2 s SER 126 Ca -0.06 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3ns2 s SER 126 Cb -0.04 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.36 3ns2 s SER 126 CO -0.00 -0.50 -0.16 -0.69 0.98 0.00 0.00 173.24 172.86 3ns2 s VAL 127 N -2.10 1.41 -0.06 5.02 1.01 -0.22 -1.63 120.40 123.82 3ns2 s VAL 127 Ca -0.09 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3ns2 s VAL 127 Cb -0.03 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 3ns2 s VAL 127 CO -0.01 0.41 -0.21 -0.89 0.00 0.00 0.00 175.10 174.40 3ns2 s THR 128 N 0.39 1.77 0.07 3.92 2.01 0.04 -0.93 115.64 122.92 3ns2 s THR 128 Ca -0.12 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.07 3ns2 s THR 128 Cb -0.15 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 3ns2 s THR 128 CO 0.04 0.50 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.32 3ns2 s SER 129 N 0.09 2.58 -0.20 3.53 1.04 0.05 -0.93 113.70 119.87 3ns2 s SER 129 Ca -0.08 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.77 3ns2 s SER 129 Cb -0.14 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 65.82 3ns2 s SER 129 CO 0.04 0.13 -0.17 -0.69 0.98 0.00 0.00 173.24 173.54 3ns2 s VAL 130 N -0.93 2.03 -0.13 5.02 1.01 -0.16 -1.46 120.40 125.78 3ns2 s VAL 130 Ca 0.08 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3ns2 s VAL 130 Cb -0.09 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3ns2 s VAL 130 CO 0.03 0.40 -0.17 0.20 0.00 0.00 0.00 175.10 175.56 3ns2 s ASN 131 N 1.27 2.71 0.08 3.32 0.01 -0.41 -4.64 114.94 117.28 3ns2 s ASN 131 Ca 0.02 -0.50 -0.12 0.00 -0.71 0.00 0.00 52.86 51.55 3ns2 s ASN 131 Cb -0.15 -1.23 -0.06 0.00 0.41 0.00 0.00 41.25 40.23 3ns2 s ASN 131 CO -0.11 0.02 0.43 -0.70 -1.51 0.00 0.00 177.10 175.23 3ns2 s GLU 132 N 1.07 3.84 0.13 -0.60 2.12 -1.26 -0.45 118.70 123.54 3ns2 s GLU 132 Ca -0.03 0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.62 3ns2 s GLU 132 Cb -0.14 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3ns2 s GLU 132 CO -0.04 0.57 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.09 3ns2 s PHE 133 N -1.35 1.14 -0.16 5.30 0.08 0.29 -4.96 117.98 118.32 3ns2 s PHE 133 Ca 0.32 -0.78 0.01 0.00 0.12 0.00 0.00 56.93 56.60 3ns2 s PHE 133 Cb -0.15 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.71 3ns2 s PHE 133 CO 0.17 0.01 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.96 3ns2 s LEU 134 N -3.01 2.30 -0.48 -0.37 0.20 -1.26 -0.90 118.68 115.16 3ns2 s LEU 134 Ca 0.14 -0.55 -0.28 0.00 0.69 0.00 0.00 54.13 54.12 3ns2 s LEU 134 Cb 0.02 -1.52 0.03 0.00 -0.43 0.00 0.00 46.19 44.30 3ns2 s LEU 134 CO -0.01 0.06 1.10 0.21 -0.29 0.00 0.00 176.35 177.42 3ns2 s ASN 135 N 0.96 6.60 0.00 3.68 3.84 0.15 -4.90 114.94 125.26 3ns2 s ASN 135 Ca -0.03 0.38 0.25 0.00 0.21 0.00 0.00 52.86 53.67 3ns2 s ASN 135 Cb -0.15 -2.53 1.08 0.00 -0.55 0.00 0.00 41.25 39.10 3ns2 s ASN 135 CO -0.04 -1.23 1.81 0.00 -2.79 0.00 0.00 177.10 174.85 3ns2 n GLN 136 N 7.75 0.02 0.05 0.43 1.13 -1.26 0.68 117.38 126.18 3ns2 n GLN 136 Ca 0.11 0.07 0.07 0.00 -1.94 0.00 0.00 57.00 55.30 3ns2 n GLN 136 Cb 0.49 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.27 3ns2 n GLN 136 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3ns2 n ASP 137 N -1.49 0.65 -0.00 1.08 9.92 -1.26 -4.37 116.55 121.07 3ns2 n ASP 137 Ca 0.06 0.26 0.03 0.00 -0.53 0.00 0.00 54.79 54.61 3ns2 n ASP 137 Cb 0.29 0.69 -0.04 0.00 -0.64 0.00 0.00 41.12 41.42 3ns2 n ASP 137 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3ns2 n SER 138 N -2.66 3.59 0.00 -2.24 3.41 -1.13 -5.00 113.62 109.58 3ns2 n SER 138 Ca -0.05 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3ns2 n SER 138 Cb 0.67 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 3ns2 n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ns2 n GLY 139 N 2.14 0.82 3.90 5.00 0.00 0.21 -5.02 105.19 112.24 3ns2 n GLY 139 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3ns2 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ns2 s LYS 140 N -0.07 3.47 0.44 1.61 1.02 -1.18 -4.83 119.74 120.20 3ns2 s LYS 140 Ca 0.00 -0.29 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 3ns2 s LYS 140 Cb 0.00 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 3ns2 s LYS 140 CO 0.00 0.65 0.82 0.14 -0.92 0.00 0.00 175.35 176.03 3ns2 s VAL 141 N -1.37 4.75 0.33 3.17 -7.23 -1.26 -0.68 120.40 118.11 3ns2 s VAL 141 Ca 0.30 0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 61.13 3ns2 s VAL 141 Cb -0.13 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.07 3ns2 s VAL 141 CO 0.20 -0.60 0.46 -0.72 -0.31 0.00 0.00 175.10 174.14 3ns2 s TYR 142 N -2.47 1.02 0.04 2.82 1.13 -0.08 -4.38 117.35 115.43 3ns2 s TYR 142 Ca 0.52 -1.26 0.07 0.00 -1.41 0.00 0.00 57.07 54.99 3ns2 s TYR 142 Cb -0.10 -0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.65 3ns2 s TYR 142 CO 0.33 -1.11 -0.19 0.99 -2.51 0.00 0.00 175.55 173.06 3ns2 s THR 143 N -3.15 1.54 -0.18 -3.49 2.01 0.10 -0.55 115.64 111.92 3ns2 s THR 143 Ca 0.30 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 3ns2 s THR 143 Cb -0.00 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 3ns2 s THR 143 CO 0.19 0.18 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.49 3ns2 s VAL 144 N -0.78 2.85 -0.16 3.82 1.01 0.40 -0.69 120.40 126.86 3ns2 s VAL 144 Ca 0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3ns2 s VAL 144 Cb -0.08 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3ns2 s VAL 144 CO 0.01 0.49 0.20 -0.69 0.00 0.00 0.00 175.10 175.12 3ns2 s VAL 145 N 1.07 5.37 -0.09 2.92 1.01 0.21 -1.28 120.40 129.60 3ns2 s VAL 145 Ca -0.00 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3ns2 s VAL 145 Cb -0.15 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 3ns2 s VAL 145 CO -0.03 0.47 -0.12 -0.76 0.00 0.00 0.00 175.10 174.66 3ns2 s LEU 146 N 0.03 2.81 -0.07 3.92 1.43 -0.53 -0.99 118.68 125.28 3ns2 s LEU 146 Ca 0.13 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3ns2 s LEU 146 Cb -0.12 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3ns2 s LEU 146 CO 0.02 0.27 -0.02 -0.70 0.23 0.00 0.00 176.35 176.15 3ns2 s GLU 147 N -0.26 0.77 0.12 1.70 2.12 -0.02 -0.77 118.70 122.35 3ns2 s GLU 147 Ca 0.02 0.01 0.07 0.00 0.36 0.00 0.00 54.97 55.44 3ns2 s GLU 147 Cb -0.13 -1.01 -0.04 0.00 0.26 0.00 0.00 34.13 33.21 3ns2 s GLU 147 CO 0.03 -0.25 -0.08 -1.54 -0.54 0.00 0.00 175.26 172.88 3ns2 s SER 148 N 1.69 4.49 0.07 -1.70 1.04 -0.10 -0.31 113.70 118.88 3ns2 s SER 148 Ca 0.01 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.02 3ns2 s SER 148 Cb -0.13 -0.88 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 3ns2 s SER 148 CO -0.04 0.16 0.06 -0.72 0.98 0.00 0.00 173.24 173.68 3ns2 s TYR 149 N -1.33 0.38 0.01 5.02 1.13 -0.64 -1.06 117.35 120.87 3ns2 s TYR 149 Ca 0.23 -0.88 0.03 0.00 -1.41 0.00 0.00 57.07 55.04 3ns2 s TYR 149 Cb -0.11 -0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.48 3ns2 s TYR 149 CO 0.15 -0.45 -0.10 0.99 -2.51 0.00 0.00 175.55 173.62 3ns2 s THR 150 N -3.90 0.80 -0.07 -3.49 2.01 -0.42 -2.23 115.64 108.33 3ns2 s THR 150 Ca 0.07 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 3ns2 s THR 150 Cb 0.07 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.91 3ns2 s THR 150 CO -0.10 0.07 0.42 0.54 -0.69 0.00 0.00 174.62 174.87 3ns2 s VAL 151 N -0.53 0.03 0.37 3.82 0.11 -0.43 -1.45 120.40 122.31 3ns2 s VAL 151 Ca 0.01 -0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 58.57 3ns2 s VAL 151 Cb -0.05 -0.69 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 3ns2 s VAL 151 CO 0.00 -0.12 1.24 -1.81 -3.33 0.00 0.00 175.10 171.08 3ns2 s ASP 152 N -0.76 6.62 -0.25 3.54 1.11 -0.31 -0.81 116.67 125.80 3ns2 s ASP 152 Ca -0.08 2.53 -0.25 0.00 0.18 0.00 0.00 52.55 54.93 3ns2 s ASP 152 Cb -0.04 -2.63 -0.00 0.00 1.07 0.00 0.00 42.92 41.32 3ns2 s ASP 152 CO 0.04 -0.63 0.84 -0.63 1.18 0.00 0.00 175.17 175.98 3ns2 s ILE 153 N -1.26 4.81 0.63 0.77 1.01 -0.27 -4.35 121.20 122.54 3ns2 s ILE 153 Ca 0.53 1.56 -0.18 0.00 0.00 0.00 0.00 60.65 62.56 3ns2 s ILE 153 Cb -0.36 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 37.96 3ns2 s ILE 153 CO 0.46 -0.11 1.22 -2.84 0.00 0.00 0.00 174.94 173.66 3ns2 s PRO 154 N 2.90 2.73 0.20 2.79 0.02 -1.26 -4.93 135.00 137.45 3ns2 s PRO 154 Ca 0.35 1.83 -0.30 0.00 0.02 0.00 0.00 61.00 62.90 3ns2 s PRO 154 Cb -0.15 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 3ns2 s PRO 154 CO 0.08 -1.39 1.40 -1.21 -0.33 0.00 0.00 177.00 175.54 3ns2 s GLU 155 N -3.50 4.32 0.00 5.54 0.41 -1.26 -1.75 118.70 122.46 3ns2 s GLU 155 Ca 0.77 2.18 0.00 0.00 -0.41 0.00 0.00 54.97 57.51 3ns2 s GLU 155 Cb -0.31 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 3ns2 s GLU 155 CO 0.37 -0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.17 3ns2 n GLY 156 N 2.64 3.33 3.91 -1.39 0.00 -1.26 -5.06 105.19 107.36 3ns2 n GLY 156 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3ns2 n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ns2 s ASN 157 N -1.05 6.41 0.32 1.61 -0.87 -0.72 -5.11 114.94 115.53 3ns2 s ASN 157 Ca 0.00 0.75 0.02 0.00 -1.57 0.00 0.00 52.86 52.06 3ns2 s ASN 157 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 41.25 39.04 3ns2 s ASN 157 CO 0.00 -0.28 0.50 0.42 -2.57 0.00 0.00 177.10 175.16 3ns2 s THR 158 N -2.24 4.93 0.14 1.60 -4.23 -1.26 -4.84 115.64 109.74 3ns2 s THR 158 Ca 0.45 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 60.14 3ns2 s THR 158 Cb -0.10 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.96 3ns2 s THR 158 CO 0.33 -0.43 1.60 -0.08 -0.54 0.00 0.00 174.62 175.50 3ns2 h GLU 159 N 0.86 0.78 -0.54 3.99 4.81 -1.98 -1.69 114.58 120.79 3ns2 h GLU 159 Ca -0.50 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 58.46 3ns2 h GLU 159 Cb 1.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3ns2 h GLU 159 CO 0.60 0.82 0.19 1.05 -0.73 0.00 0.00 179.01 180.94 3ns2 h GLU 160 N 0.63 0.84 -0.13 1.92 4.11 -1.99 -0.30 114.58 119.66 3ns2 h GLU 160 Ca 0.13 -0.17 -0.19 0.00 0.07 0.00 0.00 59.36 59.20 3ns2 h GLU 160 Cb 0.45 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3ns2 h GLU 160 CO 0.02 0.75 -0.70 -0.44 0.07 0.00 0.00 179.01 178.71 3ns2 h ASP 161 N 0.75 0.67 -0.34 3.06 3.32 -1.96 -0.45 116.42 121.47 3ns2 h ASP 161 Ca 0.18 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3ns2 h ASP 161 Cb 0.26 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3ns2 h ASP 161 CO -0.01 1.17 0.18 0.74 -1.72 0.00 0.00 179.24 179.61 3ns2 h THR 162 N 0.40 1.15 -0.73 0.35 2.02 -1.10 -1.51 112.91 113.50 3ns2 h THR 162 Ca -0.03 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 3ns2 h THR 162 Cb 1.29 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3ns2 h THR 162 CO 0.13 0.15 0.37 0.50 0.37 0.00 0.00 175.52 177.04 3ns2 h LYS 163 N 0.43 1.03 -0.78 6.66 3.64 -0.96 -0.04 116.57 126.55 3ns2 h LYS 163 Ca 0.12 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3ns2 h LYS 163 Cb 0.08 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3ns2 h LYS 163 CO -0.02 0.79 0.33 1.98 -2.27 0.00 0.00 179.45 180.26 3ns2 h MET 164 N 1.01 1.15 0.23 1.90 4.05 -0.86 0.21 114.93 122.62 3ns2 h MET 164 Ca 0.25 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3ns2 h MET 164 Cb 0.08 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 3ns2 h MET 164 CO -0.04 0.93 -0.11 0.35 0.23 0.00 0.00 176.91 178.27 3ns2 h PHE 165 N 1.12 -0.28 -0.53 1.39 3.57 -0.81 -1.54 116.94 119.86 3ns2 h PHE 165 Ca 0.26 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 3ns2 h PHE 165 Cb 0.19 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3ns2 h PHE 165 CO 0.02 0.04 -0.14 0.28 -2.23 0.00 0.00 178.31 176.28 3ns2 h VAL 166 N -0.62 1.27 -0.83 1.41 2.07 -0.91 -1.42 116.25 117.21 3ns2 h VAL 166 Ca -0.03 -1.30 0.12 0.00 0.82 0.00 0.00 66.70 66.31 3ns2 h VAL 166 Cb 0.45 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 3ns2 h VAL 166 CO 0.05 0.46 0.45 0.44 0.02 0.00 0.00 177.57 178.99 3ns2 h ASP 167 N 0.90 0.60 -0.18 0.57 5.19 -0.61 0.02 116.42 122.90 3ns2 h ASP 167 Ca 0.13 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 3ns2 h ASP 167 Cb 0.71 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 3ns2 h ASP 167 CO 0.05 0.30 0.01 0.74 -3.12 0.00 0.00 179.24 177.23 3ns2 h THR 168 N 0.71 1.24 -0.35 0.35 2.02 -0.54 -1.02 112.91 115.31 3ns2 h THR 168 Ca 0.43 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3ns2 h THR 168 Cb 0.50 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3ns2 h THR 168 CO -0.30 0.24 0.17 0.58 0.37 0.00 0.00 175.52 176.58 3ns2 h VAL 169 N 0.08 1.16 -0.62 3.16 2.07 -0.92 -0.69 116.25 120.49 3ns2 h VAL 169 Ca 0.05 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3ns2 h VAL 169 Cb 0.35 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ns2 h VAL 169 CO 0.01 0.17 0.39 0.58 0.02 0.00 0.00 177.57 178.73 3ns2 h VAL 170 N 0.42 1.17 -0.50 2.57 2.07 -0.96 -1.07 116.25 119.96 3ns2 h VAL 170 Ca 0.12 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3ns2 h VAL 170 Cb 0.11 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3ns2 h VAL 170 CO -0.02 0.18 0.08 0.50 0.02 0.00 0.00 177.57 178.33 3ns2 h LYS 171 N 0.84 0.83 -0.91 1.57 1.63 -1.00 -0.40 116.57 119.13 3ns2 h LYS 171 Ca 0.22 -0.23 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 3ns2 h LYS 171 Cb -0.05 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.42 3ns2 h LYS 171 CO -0.04 0.83 0.57 -0.07 -3.45 0.00 0.00 179.45 177.29 3ns2 h LEU 172 N 0.71 0.91 -0.53 5.20 3.38 -0.87 0.14 115.31 124.25 3ns2 h LEU 172 Ca 0.15 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3ns2 h LEU 172 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ns2 h LEU 172 CO 0.01 0.58 -0.29 0.78 0.09 0.00 0.00 178.44 179.61 3ns2 h ASN 173 N 1.04 0.91 0.24 -0.43 2.35 -0.70 -1.38 115.58 117.62 3ns2 h ASN 173 Ca 0.39 -0.37 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3ns2 h ASN 173 Cb 0.17 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3ns2 h ASN 173 CO -0.17 1.13 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.38 3ns2 h LEU 174 N 0.74 0.08 -0.78 1.61 3.38 -0.43 0.21 115.31 120.12 3ns2 h LEU 174 Ca 0.08 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3ns2 h LEU 174 Cb 0.85 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3ns2 h LEU 174 CO 0.07 0.38 -0.30 1.56 0.09 0.00 0.00 178.44 180.24 3ns2 h GLN 175 N 0.08 0.58 -0.15 1.13 4.20 -0.62 -0.92 115.11 119.41 3ns2 h GLN 175 Ca 0.01 -0.25 -0.17 0.00 0.06 0.00 0.00 58.65 58.30 3ns2 h GLN 175 Cb 0.56 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3ns2 h GLN 175 CO 0.04 0.81 -0.61 -0.22 -0.67 0.00 0.00 178.83 178.18 3ns2 h LYS 176 N 0.50 0.51 -0.87 1.46 3.64 -0.54 -0.82 116.57 120.43 3ns2 h LYS 176 Ca 0.06 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.10 3ns2 h LYS 176 Cb 0.77 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 3ns2 h LYS 176 CO 0.06 0.97 0.58 1.25 -2.27 0.00 0.00 179.45 180.04 3ns2 h LEU 177 N 0.38 1.00 -0.32 5.20 5.85 -0.81 -0.06 115.31 126.54 3ns2 h LEU 177 Ca -0.01 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3ns2 h LEU 177 Cb 1.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3ns2 h LEU 177 CO 0.11 0.73 0.19 1.23 -0.34 0.00 0.00 178.44 180.36 3ns2 h GLY 178 N 1.18 0.44 1.00 3.75 0.00 -0.63 0.44 103.07 109.26 3ns2 h GLY 178 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3ns2 h GLY 178 CO -0.07 0.13 0.35 -2.08 0.00 0.00 0.00 176.54 174.87 3ns2 h VAL 179 N 0.38 1.15 -0.54 4.60 2.07 -0.71 -0.82 116.25 122.39 3ns2 h VAL 179 Ca 0.13 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3ns2 h VAL 179 Cb -0.00 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3ns2 h VAL 179 CO -0.06 0.15 0.24 0.00 0.02 0.00 0.00 177.57 177.93 3ns2 h ALA 180 N 1.18 0.69 0.00 1.67 0.00 -0.69 -0.19 119.26 121.93 3ns2 h ALA 180 Ca 0.20 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ns2 h ALA 180 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ns2 h ALA 180 CO -0.04 0.27 -0.47 0.00 0.00 0.00 0.00 179.25 179.01 3ns2 h ALA 181 N 1.08 1.05 0.00 0.00 0.00 -0.67 -1.22 119.26 119.50 3ns2 h ALA 181 Ca 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ns2 h ALA 181 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ns2 h ALA 181 CO -0.02 0.58 -1.03 0.25 0.00 0.00 0.00 179.25 179.03 3ns2 n THR 182 N -3.73 0.17 -0.76 0.00 -2.24 -0.33 -4.72 114.28 102.67 3ns2 n THR 182 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3ns2 n THR 182 Cb 0.53 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3ns2 n THR 182 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ns2 n SER 183 N -1.96 0.00 -4.75 3.42 3.41 -0.10 -5.07 113.62 108.56 3ns2 n SER 183 Ca 0.02 -0.46 -0.25 0.00 -0.26 0.00 0.00 58.87 57.92 3ns2 n SER 183 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 3ns2 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ns2 s ALA 184 N 0.00 3.43 0.60 7.33 0.00 -0.47 -5.01 121.76 127.64 3ns2 s ALA 184 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 3ns2 s ALA 184 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3ns2 s ALA 184 CO 0.00 0.42 1.21 -1.25 0.00 0.00 0.00 175.76 176.14 3ns2 s PRO 185 N -3.27 2.93 1.01 0.00 0.04 -1.26 -4.82 135.00 129.64 3ns2 s PRO 185 Ca 0.30 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 3ns2 s PRO 185 Cb -0.09 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.72 3ns2 s PRO 185 CO 0.22 -1.23 1.17 -1.64 0.04 0.00 0.00 177.00 175.55 3ns2 s MET 186 N -3.37 0.31 0.46 4.56 -1.94 -1.26 -5.04 119.30 113.02 3ns2 s MET 186 Ca 0.77 0.05 0.03 0.00 -1.71 0.00 0.00 55.69 54.83 3ns2 s MET 186 Cb -0.30 -1.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 3ns2 s MET 186 CO 0.34 -2.71 0.09 -1.01 -0.01 0.00 0.00 175.02 171.71 3ns2 s HIS 187 N -3.31 1.79 0.00 -0.03 3.76 -1.26 -5.22 115.29 111.02 3ns2 s HIS 187 Ca 0.68 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 3ns2 s HIS 187 Cb -0.11 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.26 3ns2 s HIS 187 CO 0.54 -0.13 0.00 -3.47 -0.85 0.00 0.00 174.74 170.84