#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdh n VAL 7 N 0.00 -7.79 -1.88 0.00 0.31 -1.26 -4.91 118.33 102.81 3kdh n VAL 7 Ca 0.00 1.08 -0.38 0.00 -0.01 0.00 0.00 64.34 65.04 3kdh n VAL 7 Cb 0.00 -5.35 0.03 0.00 -0.91 0.00 0.00 33.84 27.62 3kdh n VAL 7 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3kdh s LYS 8 N -1.67 3.19 0.00 5.55 1.02 -1.26 -3.64 119.74 122.93 3kdh s LYS 8 Ca 0.08 2.11 0.00 0.00 0.02 0.00 0.00 55.97 58.19 3kdh s LYS 8 Cb -0.01 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3kdh s LYS 8 CO 0.54 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 3kdh n GLY 9 N 0.68 1.44 3.46 -3.33 0.00 -1.26 -4.60 105.19 101.58 3kdh n GLY 9 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3kdh n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdh s LEU 10 N 0.00 2.60 0.77 0.99 1.43 -1.24 -4.89 118.68 118.34 3kdh s LEU 10 Ca 0.00 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 3kdh s LEU 10 Cb 0.00 -1.42 0.06 0.00 0.03 0.00 0.00 46.19 44.85 3kdh s LEU 10 CO 0.00 0.16 1.08 0.42 0.23 0.00 0.00 176.35 178.25 3kdh s THR 11 N -1.26 3.37 0.24 5.49 -4.23 -1.26 -4.82 115.64 113.17 3kdh s THR 11 Ca 0.18 0.45 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 3kdh s THR 11 Cb -0.10 -3.10 0.21 0.00 1.34 0.00 0.00 72.50 70.85 3kdh s THR 11 CO 0.10 -0.58 1.82 0.44 -0.54 0.00 0.00 174.62 175.85 3kdh h ASP 12 N -1.04 0.70 -0.37 3.99 3.32 -1.98 -0.55 116.42 120.49 3kdh h ASP 12 Ca -0.46 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 3kdh h ASP 12 Cb 1.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3kdh h ASP 12 CO 0.56 0.41 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.15 3kdh h GLU 13 N 0.82 0.66 -0.60 3.56 3.07 -1.99 -0.63 114.58 119.46 3kdh h GLU 13 Ca 0.39 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 3kdh h GLU 13 Cb 0.33 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3kdh h GLU 13 CO -0.23 0.77 0.39 0.93 -1.40 0.00 0.00 179.01 179.47 3kdh h GLU 14 N 0.47 0.77 -0.55 2.33 5.08 -1.83 -1.17 114.58 119.68 3kdh h GLU 14 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3kdh h GLU 14 Cb 0.49 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3kdh h GLU 14 CO 0.02 0.51 0.25 0.37 -1.00 0.00 0.00 179.01 179.16 3kdh h GLN 15 N 0.79 0.79 -0.64 2.33 4.15 -0.88 -0.62 115.11 121.03 3kdh h GLN 15 Ca 0.22 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3kdh h GLN 15 Cb -0.07 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 3kdh h GLN 15 CO -0.06 0.66 0.27 -0.22 -1.93 0.00 0.00 178.83 177.55 3kdh h LYS 16 N 0.74 0.95 -0.54 1.69 3.64 -0.90 -1.36 116.57 120.78 3kdh h LYS 16 Ca 0.19 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3kdh h LYS 16 Cb 0.13 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3kdh h LYS 16 CO -0.02 0.79 0.14 1.15 -2.27 0.00 0.00 179.45 179.24 3kdh h THR 17 N 0.90 1.22 -0.00 1.00 2.02 -0.91 -2.86 112.91 114.27 3kdh h THR 17 Ca 0.22 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3kdh h THR 17 Cb 0.18 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3kdh h THR 17 CO -0.02 0.30 -0.20 0.18 0.37 0.00 0.00 175.52 176.15 3kdh n LEU 18 N -4.28 0.65 -0.16 2.58 4.77 -0.27 -4.33 117.00 115.97 3kdh n LEU 18 Ca 0.04 -0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 3kdh n LEU 18 Cb 0.22 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3kdh n LEU 18 CO 0.40 0.13 0.72 -0.08 -1.33 0.00 0.00 177.39 177.23 3kdh h GLU 19 N 0.72 -0.07 -0.69 3.23 4.81 -1.02 0.16 114.58 121.72 3kdh h GLU 19 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3kdh h GLU 19 Cb 0.43 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3kdh h GLU 19 CO 0.00 -0.05 0.45 -1.35 -0.73 0.00 0.00 179.01 177.34 3kdh h PRO 20 N -0.07 0.83 -0.17 0.92 0.11 -1.80 -0.67 132.00 131.15 3kdh h PRO 20 Ca 0.24 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 3kdh h PRO 20 Cb 0.44 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3kdh h PRO 20 CO -0.55 0.55 -0.11 0.28 -0.21 0.00 0.00 178.00 177.96 3kdh h VAL 21 N 0.85 1.32 -0.29 3.15 2.07 -1.27 -0.90 116.25 121.19 3kdh h VAL 21 Ca 0.27 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3kdh h VAL 21 Cb 0.01 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3kdh h VAL 21 CO -0.07 0.36 0.19 0.40 0.02 0.00 0.00 177.57 178.47 3kdh h ILE 22 N 0.03 1.08 -0.24 4.57 2.04 -0.48 -1.30 117.51 123.20 3kdh h ILE 22 Ca 0.03 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3kdh h ILE 22 Cb 0.61 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3kdh h ILE 22 CO 0.03 0.08 -0.18 0.11 0.00 0.00 0.00 178.15 178.19 3kdh h LYS 23 N 0.39 0.42 0.11 2.37 1.57 -1.11 0.29 116.57 120.62 3kdh h LYS 23 Ca 0.11 -0.13 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 3kdh h LYS 23 Cb -0.04 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.26 3kdh h LYS 23 CO -0.02 0.59 -0.98 1.15 -0.57 0.00 0.00 179.45 179.62 3kdh h THR 24 N 0.39 1.39 0.00 -0.16 2.02 -0.90 -3.40 112.91 112.25 3kdh h THR 24 Ca 0.07 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.83 3kdh h THR 24 Cb 0.54 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 3kdh h THR 24 CO 0.04 0.71 -1.18 -1.22 0.37 0.00 0.00 175.52 174.24 3kdh n TYR 25 N -3.99 0.00 -1.65 3.16 4.01 -0.51 -4.76 117.16 113.41 3kdh n TYR 25 Ca -0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.50 3kdh n TYR 25 Cb 0.87 -0.11 0.14 0.00 -0.31 0.00 0.00 39.34 39.93 3kdh n TYR 25 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3kdh n HIS 26 N -1.65 1.54 -1.95 -0.72 8.25 0.09 -4.94 115.22 115.84 3kdh n HIS 26 Ca -0.01 -1.90 -0.37 0.00 -0.26 0.00 0.00 57.72 55.18 3kdh n HIS 26 Cb 0.13 -0.48 0.03 0.00 1.12 0.00 0.00 29.99 30.79 3kdh n HIS 26 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kdh s GLN 27 N -3.41 3.08 0.04 -0.41 -1.52 -1.20 -4.87 119.66 111.37 3kdh s GLN 27 Ca 0.47 1.96 0.06 0.00 -1.95 0.00 0.00 55.36 55.90 3kdh s GLN 27 Cb 0.41 -2.08 -0.02 0.00 -0.22 0.00 0.00 33.01 31.10 3kdh s GLN 27 CO -0.01 -1.16 -0.18 -0.59 -0.25 0.00 0.00 175.29 173.11 3kdh s PHE 28 N -1.48 1.59 -0.11 0.91 -0.12 -1.26 -5.08 117.98 112.43 3kdh s PHE 28 Ca 0.75 -0.36 -0.13 0.00 -0.05 0.00 0.00 56.93 57.13 3kdh s PHE 28 Cb -0.34 -0.94 -0.05 0.00 -0.63 0.00 0.00 43.02 41.06 3kdh s PHE 28 CO 0.38 0.07 0.32 -2.00 -0.05 0.00 0.00 175.22 173.94 3kdh s GLU 29 N -1.17 4.05 -0.61 1.99 2.12 -1.26 -5.03 118.70 118.79 3kdh s GLU 29 Ca 0.05 0.18 -0.27 0.00 0.36 0.00 0.00 54.97 55.30 3kdh s GLU 29 Cb -0.08 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3kdh s GLU 29 CO 0.02 0.44 1.76 -2.14 -0.54 0.00 0.00 175.26 174.80 3kdh s PRO 30 N -0.18 2.77 -0.07 4.30 0.02 -1.26 -4.96 135.00 135.62 3kdh s PRO 30 Ca 0.19 0.54 -0.00 0.00 0.02 0.00 0.00 61.00 61.75 3kdh s PRO 30 Cb -0.14 -4.34 0.02 0.00 0.02 0.00 0.00 34.50 30.07 3kdh s PRO 30 CO 0.07 -2.57 -0.04 0.34 -0.33 0.00 0.00 177.00 174.47 3kdh s ASP 31 N 7.26 1.57 0.58 2.53 -1.08 -1.26 -5.02 116.67 121.25 3kdh s ASP 31 Ca 0.63 -0.16 0.33 0.00 -0.52 0.00 0.00 52.55 52.83 3kdh s ASP 31 Cb -0.12 -0.56 1.77 0.00 -1.46 0.00 0.00 42.92 42.55 3kdh s ASP 31 CO 0.21 -0.13 2.18 -0.65 0.52 0.00 0.00 175.17 177.30 3kdh h PRO 32 N 7.92 0.00 -0.00 4.34 0.11 -2.03 -2.03 132.00 140.30 3kdh h PRO 32 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kdh h PRO 32 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kdh h PRO 32 CO 0.36 0.05 -0.22 0.25 -0.21 0.00 0.00 178.00 178.23 3kdh n THR 33 N -3.50 0.00 -4.41 -1.15 -2.24 -1.26 -4.92 114.28 96.80 3kdh n THR 33 Ca -0.02 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 3kdh n THR 33 Cb 0.17 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 3kdh n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdh s THR 34 N -2.78 1.86 -0.13 4.28 -4.23 -0.76 -0.91 115.64 112.97 3kdh s THR 34 Ca 0.19 -2.21 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3kdh s THR 34 Cb 0.19 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 3kdh s THR 34 CO 0.57 -0.43 -0.02 0.00 -0.54 0.00 0.00 174.62 174.20 3kdh s THR 36 N -0.13 0.78 -0.01 0.00 -4.23 -1.26 -1.44 115.64 109.35 3kdh s THR 36 Ca 0.03 -0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 59.93 3kdh s THR 36 Cb -0.13 -0.66 0.04 0.00 1.34 0.00 0.00 72.50 73.09 3kdh s THR 36 CO 0.02 0.22 0.42 -0.44 -0.54 0.00 0.00 174.62 174.30 3kdh s SER 37 N -0.23 -0.32 -0.18 3.99 0.01 -1.01 -5.00 113.70 110.97 3kdh s SER 37 Ca 0.04 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.49 3kdh s SER 37 Cb -0.04 0.39 0.01 0.00 0.21 0.00 0.00 66.02 66.59 3kdh s SER 37 CO -0.00 -0.54 -0.16 -0.22 0.41 0.00 0.00 173.24 172.72 3kdh s LEU 38 N -1.49 2.36 -0.03 2.44 2.96 -1.26 -1.55 118.68 122.11 3kdh s LEU 38 Ca -0.11 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.27 3kdh s LEU 38 Cb -0.03 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3kdh s LEU 38 CO 0.04 0.03 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.41 3kdh s ILE 39 N 1.14 3.73 0.15 6.68 -1.09 0.66 -4.89 121.20 127.60 3kdh s ILE 39 Ca 0.01 -0.63 0.09 0.00 -2.23 0.00 0.00 60.65 57.88 3kdh s ILE 39 Cb -0.14 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 3kdh s ILE 39 CO -0.06 0.47 -0.19 0.42 -1.23 0.00 0.00 174.94 174.34 3kdh s THR 40 N -0.93 1.85 -0.14 2.92 -4.23 -1.26 -0.71 115.64 113.13 3kdh s THR 40 Ca 0.15 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 3kdh s THR 40 Cb -0.11 -1.81 0.06 0.00 1.34 0.00 0.00 72.50 71.98 3kdh s THR 40 CO 0.05 -0.23 0.30 -1.58 -0.54 0.00 0.00 174.62 172.62 3kdh s GLN 41 N -2.57 0.24 -0.08 3.99 2.00 -0.37 -4.99 119.66 117.87 3kdh s GLN 41 Ca 0.14 0.70 -0.19 0.00 -2.00 0.00 0.00 55.36 54.01 3kdh s GLN 41 Cb -0.07 -0.03 -0.04 0.00 0.80 0.00 0.00 33.01 33.67 3kdh s GLN 41 CO 0.06 -0.21 0.53 0.50 -0.50 0.00 0.00 175.29 175.68 3kdh s ARG 42 N 1.77 4.32 -0.08 1.67 3.52 -1.26 -0.74 118.95 128.15 3kdh s ARG 42 Ca -0.06 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 3kdh s ARG 42 Cb -0.11 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3kdh s ARG 42 CO -0.10 0.23 -0.12 0.42 -0.81 0.00 0.00 175.30 174.92 3kdh s ILE 43 N 0.36 1.18 -1.32 4.11 1.01 0.83 -5.00 121.20 122.37 3kdh s ILE 43 Ca 0.29 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 3kdh s ILE 43 Cb -0.16 -1.11 0.14 0.00 0.01 0.00 0.00 42.46 41.34 3kdh s ILE 43 CO 0.13 0.37 2.01 1.41 0.00 0.00 0.00 174.94 178.87 3kdh n HIS 44 N 4.14 2.97 -3.62 3.97 8.25 -1.26 -0.52 115.22 129.15 3kdh n HIS 44 Ca -0.20 -2.83 -0.13 0.00 -0.26 0.00 0.00 57.72 54.31 3kdh n HIS 44 Cb 0.51 -2.05 -0.06 0.00 1.12 0.00 0.00 29.99 29.52 3kdh n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kdh s ALA 45 N 0.74 -1.11 0.64 -1.41 0.00 -1.26 -4.80 121.76 114.56 3kdh s ALA 45 Ca 0.43 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 3kdh s ALA 45 Cb 0.11 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 3kdh s ALA 45 CO -0.02 -0.51 1.15 -2.14 0.00 0.00 0.00 175.76 174.24 3kdh s PRO 46 N -2.73 2.82 0.49 0.00 0.02 -1.26 -3.15 135.00 131.19 3kdh s PRO 46 Ca -0.04 1.59 0.18 0.00 0.02 0.00 0.00 61.00 62.76 3kdh s PRO 46 Cb -0.00 -1.93 1.21 0.00 0.02 0.00 0.00 34.50 33.80 3kdh s PRO 46 CO -0.04 -1.27 2.03 0.00 -0.33 0.00 0.00 177.00 177.39 3kdh h ALA 47 N 0.38 2.17 0.00 -1.55 0.00 -1.92 -1.24 119.26 117.09 3kdh h ALA 47 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kdh h ALA 47 Cb 1.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kdh h ALA 47 CO 0.54 -0.27 -0.01 0.66 0.00 0.00 0.00 179.25 180.17 3kdh h SER 48 N 0.17 0.00 0.09 0.00 4.64 -2.01 0.45 113.55 116.89 3kdh h SER 48 Ca 0.19 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.14 3kdh h SER 48 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 3kdh h SER 48 CO -0.03 0.01 -2.24 0.52 -0.87 0.00 0.00 176.83 174.22 3kdh n VAL 49 N -3.18 1.58 -0.03 0.95 0.31 -0.51 -4.48 118.33 112.96 3kdh n VAL 49 Ca -0.02 -0.67 -0.13 0.00 -0.01 0.00 0.00 64.34 63.51 3kdh n VAL 49 Cb 0.12 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 31.65 3kdh n VAL 49 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kdh h VAL 50 N 0.02 1.34 -0.41 2.52 2.07 -0.99 -3.36 116.25 117.44 3kdh h VAL 50 Ca -0.50 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 65.95 3kdh h VAL 50 Cb 2.01 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 33.64 3kdh h VAL 50 CO 0.00 0.32 0.08 -0.25 0.02 0.00 0.00 177.57 177.74 3kdh h TRP 51 N -0.21 0.14 -0.32 1.57 2.91 -1.16 -2.18 115.95 116.70 3kdh h TRP 51 Ca 0.02 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.13 3kdh h TRP 51 Cb 0.53 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.17 3kdh h TRP 51 CO 0.08 0.01 0.22 -1.35 -1.03 0.00 0.00 178.44 176.37 3kdh h PRO 52 N 0.21 0.14 -0.75 2.65 0.11 -1.79 0.10 132.00 132.68 3kdh h PRO 52 Ca 0.20 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3kdh h PRO 52 Cb 0.24 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 3kdh h PRO 52 CO -0.26 0.09 0.41 -0.07 -0.21 0.00 0.00 178.00 177.96 3kdh h LEU 53 N 0.15 0.93 0.24 2.35 3.38 -1.56 -2.06 115.31 118.74 3kdh h LEU 53 Ca 0.14 -0.08 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 3kdh h LEU 53 Cb 0.39 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 40.93 3kdh h LEU 53 CO -0.02 0.75 -1.51 0.40 0.09 0.00 0.00 178.44 178.15 3kdh h ILE 54 N 1.05 1.24 0.00 1.22 2.04 -1.20 -3.34 117.51 118.52 3kdh h ILE 54 Ca 0.27 -2.70 -0.04 0.00 1.00 0.00 0.00 64.86 63.39 3kdh h ILE 54 Cb 0.03 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3kdh h ILE 54 CO -0.04 0.82 -0.19 -0.09 0.00 0.00 0.00 178.15 178.65 3kdh h ARG 55 N 0.14 0.00 -5.89 2.37 9.65 -0.74 -3.38 114.38 116.53 3kdh h ARG 55 Ca -0.26 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.08 3kdh h ARG 55 Cb 2.15 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 30.65 3kdh h ARG 55 CO 0.26 0.19 1.52 0.50 2.80 0.00 0.00 179.97 185.23 3kdh s ARG 56 N -3.92 3.39 0.48 0.20 6.06 -0.79 -4.80 118.95 119.57 3kdh s ARG 56 Ca -0.01 -1.23 0.14 0.00 -2.50 0.00 0.00 55.73 52.12 3kdh s ARG 56 Cb 0.12 -5.35 1.13 0.00 0.06 0.00 0.00 34.95 30.92 3kdh s ARG 56 CO 0.61 -2.64 2.11 0.35 -2.50 0.00 0.00 175.30 173.23 3kdh h PHE 57 N 9.41 0.13 -0.00 5.12 3.57 -1.85 -1.76 116.94 131.56 3kdh h PHE 57 Ca 0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3kdh h PHE 57 Cb 0.96 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3kdh h PHE 57 CO 1.30 0.10 0.00 -0.40 -2.23 0.00 0.00 178.31 177.09 3kdh n ASP 58 N -4.50 0.27 -2.60 0.41 3.85 -1.26 -4.29 116.55 108.43 3kdh n ASP 58 Ca -0.01 -1.10 -0.17 0.00 -0.71 0.00 0.00 54.79 52.79 3kdh n ASP 58 Cb 0.10 -0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.89 3kdh n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kdh n ASN 59 N -0.79 2.91 0.26 -1.12 4.05 -0.66 -4.49 115.26 115.41 3kdh n ASN 59 Ca 0.23 -3.18 0.17 0.00 0.45 0.00 0.00 54.58 52.25 3kdh n ASN 59 Cb 0.15 -0.50 0.72 0.00 1.23 0.00 0.00 39.78 41.38 3kdh n ASN 59 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3kdh h PRO 60 N 2.82 0.00 -0.41 1.20 0.13 -1.75 -2.62 132.00 131.37 3kdh h PRO 60 Ca 0.08 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.33 3kdh h PRO 60 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3kdh h PRO 60 CO 0.66 0.00 0.35 0.93 -0.23 0.00 0.00 178.00 179.71 3kdh h GLU 61 N 0.00 0.00 0.00 0.86 3.07 -1.89 -0.81 114.58 115.80 3kdh h GLU 61 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3kdh h GLU 61 Cb 0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3kdh h GLU 61 CO 0.00 0.00 -0.06 0.00 -1.40 0.00 0.00 179.01 177.55 3kdh h ARG 62 N 0.00 0.00 0.00 2.33 3.08 -1.85 -3.25 114.38 114.69 3kdh h ARG 62 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3kdh h ARG 62 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3kdh h ARG 62 CO -0.00 0.06 0.00 2.48 -1.07 0.00 0.00 179.97 181.44 3kdh n TYR 63 N -4.05 0.00 -5.09 3.04 0.18 -0.74 -4.75 117.16 105.75 3kdh n TYR 63 Ca -0.03 -0.12 -0.31 0.00 1.88 0.00 0.00 57.90 59.32 3kdh n TYR 63 Cb 0.14 -0.01 -0.15 0.00 -0.38 0.00 0.00 39.34 38.95 3kdh n TYR 63 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kdh s LYS 64 N -0.24 2.21 0.55 -3.48 1.02 -0.39 -3.88 119.74 115.54 3kdh s LYS 64 Ca 0.00 -0.87 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 3kdh s LYS 64 Cb 0.00 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 3kdh s LYS 64 CO 0.00 0.58 0.96 -1.01 -0.92 0.00 0.00 175.35 174.96 3kdh s HIS 65 N -0.69 3.55 0.00 3.18 3.76 -1.26 -4.31 115.29 119.53 3kdh s HIS 65 Ca 0.11 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 3kdh s HIS 65 Cb -0.10 -2.66 0.00 0.00 1.11 0.00 0.00 32.58 30.93 3kdh s HIS 65 CO 0.00 -0.49 0.00 1.19 -0.85 0.00 0.00 174.74 174.60 3kdh n PHE 66 N -2.21 0.00 -3.18 1.40 3.72 -1.26 -4.98 117.46 110.96 3kdh n PHE 66 Ca 0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 3kdh n PHE 66 Cb 0.54 -0.11 -0.07 0.00 -0.94 0.00 0.00 39.48 38.91 3kdh n PHE 66 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3kdh s VAL 67 N -1.96 5.04 -0.12 -4.37 1.01 -1.26 0.40 120.40 119.15 3kdh s VAL 67 Ca 0.00 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.09 3kdh s VAL 67 Cb 0.00 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 3kdh s VAL 67 CO 0.00 0.10 0.36 1.17 0.00 0.00 0.00 175.10 176.73 3kdh n LYS 68 N 5.27 0.68 -3.54 2.72 4.81 0.10 -4.92 118.16 123.29 3kdh n LYS 68 Ca -0.03 0.21 -0.17 0.00 -0.87 0.00 0.00 58.31 57.45 3kdh n LYS 68 Cb 0.50 -1.69 -0.06 0.00 0.02 0.00 0.00 35.03 33.80 3kdh n LYS 68 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3kdh s ARG 69 N -2.56 1.03 -0.12 1.64 3.52 -1.14 -4.98 118.95 116.36 3kdh s ARG 69 Ca -0.14 0.18 -0.10 0.00 -0.13 0.00 0.00 55.73 55.54 3kdh s ARG 69 Cb 0.07 0.49 0.03 0.00 -1.56 0.00 0.00 34.95 33.98 3kdh s ARG 69 CO 0.78 -0.33 0.31 0.00 -0.81 0.00 0.00 175.30 175.26 3kdh s ARG 71 N 0.42 0.80 0.10 0.00 1.70 -0.93 -4.90 118.95 116.15 3kdh s ARG 71 Ca -0.02 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.70 3kdh s ARG 71 Cb -0.04 0.36 -0.06 0.00 -0.57 0.00 0.00 34.95 34.64 3kdh s ARG 71 CO -0.02 -0.25 1.16 -0.51 -1.08 0.00 0.00 175.30 174.61 3kdh s LEU 72 N -1.61 4.41 -0.01 -1.89 1.43 -1.26 -0.34 118.68 119.41 3kdh s LEU 72 Ca -0.10 2.04 0.19 0.00 -1.03 0.00 0.00 54.13 55.24 3kdh s LEU 72 Cb -0.03 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.37 3kdh s LEU 72 CO 0.02 -0.39 0.71 2.30 0.23 0.00 0.00 176.35 179.22 3kdh n ILE 73 N 3.37 0.00 -3.62 -0.59 -5.35 0.13 -4.89 119.36 108.41 3kdh n ILE 73 Ca 0.07 -0.15 -0.15 0.00 -0.27 0.00 0.00 62.75 62.24 3kdh n ILE 73 Cb 0.46 0.76 -0.07 0.00 -1.74 0.00 0.00 39.64 39.05 3kdh n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3kdh s SER 74 N -3.18 -0.58 0.00 7.28 0.15 -1.10 -4.98 113.70 111.29 3kdh s SER 74 Ca 0.03 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3kdh s SER 74 Cb 0.14 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 3kdh s SER 74 CO 0.79 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.44 3kdh n GLY 75 N 1.80 -2.52 0.00 9.45 0.00 -1.26 -1.06 105.19 111.60 3kdh n GLY 75 Ca -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3kdh n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kdh n ASP 76 N -0.71 1.15 0.00 1.61 2.03 -1.26 -4.92 116.55 114.46 3kdh n ASP 76 Ca 0.00 -1.57 0.00 0.00 0.52 0.00 0.00 54.79 53.74 3kdh n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3kdh n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kdh n GLY 77 N -0.29 1.10 4.03 0.27 0.00 -1.26 -5.06 105.19 103.97 3kdh n GLY 77 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3kdh n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdh n ASP 78 N 0.00 2.16 -4.66 1.61 10.43 -1.26 -4.72 116.55 120.11 3kdh n ASP 78 Ca 0.00 -2.58 -0.46 0.00 2.57 0.00 0.00 54.79 54.33 3kdh n ASP 78 Cb 0.00 -0.44 -0.03 0.00 1.84 0.00 0.00 41.12 42.48 3kdh n ASP 78 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3kdh n VAL 79 N -2.32 0.59 0.00 2.53 0.31 -1.26 -1.29 118.33 116.90 3kdh n VAL 79 Ca 0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3kdh n VAL 79 Cb 0.62 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3kdh n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kdh n GLY 80 N 2.57 2.04 3.76 2.92 0.00 0.40 -5.02 105.19 111.86 3kdh n GLY 80 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3kdh n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kdh s SER 81 N -1.54 5.54 -0.13 1.61 0.01 -0.41 -4.72 113.70 114.06 3kdh s SER 81 Ca 0.00 2.62 0.02 0.00 1.31 0.00 0.00 55.95 59.90 3kdh s SER 81 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3kdh s SER 81 CO 0.00 -1.38 -0.19 -0.69 0.41 0.00 0.00 173.24 171.40 3kdh s VAL 82 N -1.38 1.80 0.02 3.43 1.01 -0.23 -0.93 120.40 124.12 3kdh s VAL 82 Ca 0.69 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3kdh s VAL 82 Cb -0.37 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3kdh s VAL 82 CO 0.43 0.50 0.07 0.00 0.00 0.00 0.00 175.10 176.10 3kdh s ARG 83 N 0.92 2.98 -0.30 2.72 1.70 0.03 -0.70 118.95 126.30 3kdh s ARG 83 Ca -0.06 -0.56 -0.09 0.00 -0.47 0.00 0.00 55.73 54.55 3kdh s ARG 83 Cb -0.15 -2.80 -0.01 0.00 -0.57 0.00 0.00 34.95 31.42 3kdh s ARG 83 CO -0.02 0.62 0.14 -2.00 -1.08 0.00 0.00 175.30 172.96 3kdh s GLU 84 N -1.87 3.42 -0.21 3.89 2.12 0.54 -1.16 118.70 125.43 3kdh s GLU 84 Ca 0.24 -0.66 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 3kdh s GLU 84 Cb -0.12 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 3kdh s GLU 84 CO 0.15 -0.37 0.03 0.08 -0.54 0.00 0.00 175.26 174.62 3kdh s VAL 85 N 1.62 4.23 -0.25 3.70 1.01 0.13 -2.19 120.40 128.65 3kdh s VAL 85 Ca 0.05 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3kdh s VAL 85 Cb -0.17 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3kdh s VAL 85 CO 0.06 0.40 0.35 -0.89 0.00 0.00 0.00 175.10 175.03 3kdh s THR 86 N 1.08 5.21 0.05 3.92 2.01 0.60 -1.36 115.64 127.15 3kdh s THR 86 Ca 0.03 0.55 0.04 0.00 0.31 0.00 0.00 61.69 62.63 3kdh s THR 86 Cb -0.14 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3kdh s THR 86 CO 0.02 0.21 -0.05 0.54 -0.69 0.00 0.00 174.62 174.65 3kdh s VAL 87 N 1.73 3.70 -0.08 3.82 0.11 0.39 0.02 120.40 130.09 3kdh s VAL 87 Ca 0.15 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 58.21 3kdh s VAL 87 Cb -0.15 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 3kdh s VAL 87 CO 0.09 0.25 0.12 -0.63 -3.33 0.00 0.00 175.10 171.60 3kdh s ILE 88 N -1.14 5.26 0.00 7.04 -1.09 0.16 -2.32 121.20 129.12 3kdh s ILE 88 Ca 0.21 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 3kdh s ILE 88 Cb -0.11 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 3kdh s ILE 88 CO 0.12 0.53 0.00 -1.54 -1.23 0.00 0.00 174.94 172.82 3kdh n SER 89 N 1.72 0.00 0.26 3.58 3.41 -1.26 -4.85 113.62 116.47 3kdh n SER 89 Ca -0.17 -0.57 0.17 0.00 -0.26 0.00 0.00 58.87 58.03 3kdh n SER 89 Cb 0.54 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 65.15 3kdh n SER 89 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kdh h GLY 90 N 0.00 0.00 -2.11 5.00 0.00 -2.04 -3.44 103.07 100.48 3kdh h GLY 90 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 3kdh h GLY 90 CO 0.00 0.00 -0.11 1.08 0.00 0.00 0.00 176.54 177.51 3kdh s LEU 91 N -5.95 3.48 0.82 3.11 1.43 -1.26 -5.06 118.68 115.26 3kdh s LEU 91 Ca 0.02 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 3kdh s LEU 91 Cb 0.09 -2.89 0.07 0.00 0.03 0.00 0.00 46.19 43.50 3kdh s LEU 91 CO 0.52 -0.92 1.07 -2.65 0.23 0.00 0.00 176.35 174.60 3kdh n PRO 92 N -2.14 0.09 -1.69 1.29 -0.02 -1.26 -4.83 135.00 126.44 3kdh n PRO 92 Ca 0.06 0.10 -0.44 0.00 -2.02 0.00 0.00 63.50 61.21 3kdh n PRO 92 Cb 0.59 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 3kdh n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdh n ALA 93 N -3.33 1.30 -2.29 3.55 0.00 -1.26 -4.79 120.51 113.70 3kdh n ALA 93 Ca 0.13 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.80 3kdh n ALA 93 Cb 0.51 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 3kdh n ALA 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kdh s SER 94 N 0.09 2.06 0.08 0.00 1.04 -0.98 -4.96 113.70 111.04 3kdh s SER 94 Ca 0.63 -1.04 0.10 0.00 0.48 0.00 0.00 55.95 56.13 3kdh s SER 94 Cb -0.61 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.43 3kdh s SER 94 CO 0.54 -0.30 -0.27 -0.89 0.98 0.00 0.00 173.24 173.31 3kdh s THR 95 N -3.22 2.19 0.05 2.02 2.01 -1.26 -0.46 115.64 116.97 3kdh s THR 95 Ca 0.20 -1.56 -0.02 0.00 0.31 0.00 0.00 61.69 60.62 3kdh s THR 95 Cb 0.02 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 3kdh s THR 95 CO 0.03 0.24 0.00 -0.94 -0.69 0.00 0.00 174.62 173.26 3kdh s SER 96 N -1.62 0.38 -0.06 3.53 1.04 -0.46 -4.66 113.70 111.85 3kdh s SER 96 Ca 0.13 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.76 3kdh s SER 96 Cb -0.10 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 3kdh s SER 96 CO 0.04 -0.55 -0.15 0.42 0.98 0.00 0.00 173.24 173.98 3kdh s THR 97 N -3.37 3.01 -0.03 2.02 -4.23 -0.43 -0.70 115.64 111.92 3kdh s THR 97 Ca 0.02 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 3kdh s THR 97 Cb 0.04 -2.18 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 3kdh s THR 97 CO -0.08 0.58 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.85 3kdh s GLU 98 N -0.61 1.26 -0.07 3.99 2.02 -0.31 -0.61 118.70 124.37 3kdh s GLU 98 Ca 0.09 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.67 3kdh s GLU 98 Cb -0.11 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.95 3kdh s GLU 98 CO 0.01 0.19 -0.16 0.50 0.02 0.00 0.00 175.26 175.82 3kdh s ARG 99 N 0.05 2.76 -0.35 1.61 3.52 0.15 -0.79 118.95 125.89 3kdh s ARG 99 Ca -0.02 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 3kdh s ARG 99 Cb -0.09 -2.42 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 3kdh s ARG 99 CO 0.01 0.47 1.09 -1.17 -0.81 0.00 0.00 175.30 174.89 3kdh s LEU 100 N -0.34 3.87 -0.20 -0.88 2.96 -0.11 -1.78 118.68 122.20 3kdh s LEU 100 Ca 0.03 0.92 0.15 0.00 -0.22 0.00 0.00 54.13 55.01 3kdh s LEU 100 Cb -0.13 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 3kdh s LEU 100 CO 0.02 -0.96 0.07 -0.62 -1.32 0.00 0.00 176.35 173.55 3kdh n GLU 101 N 7.07 0.68 -3.64 1.98 -0.58 0.13 -0.46 120.64 125.83 3kdh n GLU 101 Ca 0.12 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 3kdh n GLU 101 Cb 0.47 -1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 3kdh n GLU 101 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kdh s PHE 102 N -2.50 -0.83 -0.06 -0.32 5.36 -1.05 -4.86 117.98 113.72 3kdh s PHE 102 Ca -0.14 1.93 -0.04 0.00 -0.96 0.00 0.00 56.93 57.73 3kdh s PHE 102 Cb 0.07 0.34 0.03 0.00 -0.34 0.00 0.00 43.02 43.12 3kdh s PHE 102 CO 0.79 -0.40 0.15 0.14 -1.46 0.00 0.00 175.22 174.44 3kdh s VAL 103 N 0.65 -0.02 -0.29 3.12 -7.23 -1.26 -0.61 120.40 114.76 3kdh s VAL 103 Ca -0.02 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 3kdh s VAL 103 Cb -0.05 -0.23 0.09 0.00 0.56 0.00 0.00 36.38 36.75 3kdh s VAL 103 CO -0.04 0.03 0.05 -0.62 -0.31 0.00 0.00 175.10 174.22 3kdh s ASP 104 N 0.61 4.03 0.42 4.85 3.68 -0.03 -5.00 116.67 125.23 3kdh s ASP 104 Ca -0.04 -1.56 0.21 0.00 2.13 0.00 0.00 52.55 53.28 3kdh s ASP 104 Cb -0.06 -1.06 0.88 0.00 -1.45 0.00 0.00 42.92 41.23 3kdh s ASP 104 CO -0.03 -0.36 1.83 0.44 0.13 0.00 0.00 175.17 177.18 3kdh h ASP 105 N 7.98 0.00 0.03 -0.34 3.32 -1.97 0.14 116.42 125.59 3kdh h ASP 105 Ca -0.13 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 3kdh h ASP 105 Cb 1.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.60 3kdh h ASP 105 CO 0.45 0.30 -0.45 0.44 -1.72 0.00 0.00 179.24 178.27 3kdh h ASP 106 N 0.00 0.34 0.47 6.45 3.32 -1.96 -3.25 116.42 121.79 3kdh h ASP 106 Ca -0.00 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 56.21 3kdh h ASP 106 Cb 0.72 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3kdh h ASP 106 CO 0.04 1.14 -0.23 1.41 -1.72 0.00 0.00 179.24 179.87 3kdh n HIS 107 N -4.35 0.00 -3.16 4.55 8.25 -1.21 -4.98 115.22 114.32 3kdh n HIS 107 Ca -0.11 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.22 3kdh n HIS 107 Cb 0.62 -0.24 0.06 0.00 1.12 0.00 0.00 29.99 31.56 3kdh n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kdh n ARG 108 N -1.13 -2.10 -4.91 -0.41 1.74 0.41 -4.43 116.66 105.83 3kdh n ARG 108 Ca 0.10 0.86 -0.27 0.00 -0.77 0.00 0.00 57.85 57.77 3kdh n ARG 108 Cb 0.32 -5.63 -0.16 0.00 -1.02 0.00 0.00 32.46 25.96 3kdh n ARG 108 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kdh s VAL 109 N -3.35 1.55 -0.04 1.55 1.01 -0.65 -1.00 120.40 119.46 3kdh s VAL 109 Ca 0.42 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3kdh s VAL 109 Cb -0.05 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3kdh s VAL 109 CO 0.71 0.44 -0.07 -0.22 0.00 0.00 0.00 175.10 175.96 3kdh s LEU 110 N 0.11 1.53 -0.05 3.92 0.20 0.10 -0.85 118.68 123.64 3kdh s LEU 110 Ca -0.06 -0.16 0.04 0.00 0.69 0.00 0.00 54.13 54.63 3kdh s LEU 110 Cb -0.13 -0.51 -0.00 0.00 -0.43 0.00 0.00 46.19 45.12 3kdh s LEU 110 CO 0.03 -0.01 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.48 3kdh s SER 111 N 0.63 2.17 0.13 3.68 0.01 0.22 -0.67 113.70 119.86 3kdh s SER 111 Ca -0.09 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.81 3kdh s SER 111 Cb -0.12 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 3kdh s SER 111 CO 0.01 0.14 0.00 0.72 0.41 0.00 0.00 173.24 174.52 3kdh s PHE 112 N 0.13 0.93 0.04 2.43 -0.12 -0.61 -0.69 117.98 120.09 3kdh s PHE 112 Ca -0.06 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 55.75 3kdh s PHE 112 Cb -0.12 -0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 41.70 3kdh s PHE 112 CO 0.03 -0.32 -0.04 -0.98 -0.05 0.00 0.00 175.22 173.85 3kdh s ARG 113 N -3.94 0.45 0.03 1.99 1.70 -0.73 -1.30 118.95 117.14 3kdh s ARG 113 Ca 0.19 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 3kdh s ARG 113 Cb 0.07 0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 3kdh s ARG 113 CO -0.01 -0.04 0.99 0.08 -1.08 0.00 0.00 175.30 175.24 3kdh s VAL 114 N -2.11 4.72 -0.22 4.99 1.01 -0.39 -0.68 120.40 127.72 3kdh s VAL 114 Ca -0.08 2.01 -0.00 0.00 0.00 0.00 0.00 61.98 63.91 3kdh s VAL 114 Cb -0.05 -4.29 -0.13 0.00 0.00 0.00 0.00 36.38 31.91 3kdh s VAL 114 CO -0.03 0.19 -0.20 0.52 0.00 0.00 0.00 175.10 175.58 3kdh n VAL 115 N 3.65 1.23 -3.95 2.92 0.31 0.22 -4.72 118.33 117.99 3kdh n VAL 115 Ca 0.05 -0.45 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 3kdh n VAL 115 Cb 0.50 -1.33 -0.12 0.00 -0.91 0.00 0.00 33.84 31.98 3kdh n VAL 115 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kdh s GLY 116 N -5.99 0.16 0.00 2.92 0.00 -1.18 -4.99 107.32 98.24 3kdh s GLY 116 Ca -0.29 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3kdh s GLY 116 CO 0.48 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.81 3kdh n GLY 117 N 2.24 0.38 2.72 0.20 0.00 -1.26 -1.31 105.19 108.16 3kdh n GLY 117 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 3kdh n GLY 117 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kdh n GLU 118 N 0.00 1.34 -4.29 1.61 -0.00 -1.26 -5.11 120.64 112.93 3kdh n GLU 118 Ca 0.00 -2.79 -0.24 0.00 -0.00 0.00 0.00 57.16 54.14 3kdh n GLU 118 Cb 0.00 -0.90 -0.08 0.00 -0.00 0.00 0.00 31.44 30.46 3kdh n GLU 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3kdh s HIS 119 N -2.26 2.62 0.15 -1.84 0.09 -1.26 -5.05 115.29 107.74 3kdh s HIS 119 Ca 0.24 -0.32 -0.14 0.00 -0.00 0.00 0.00 55.06 54.84 3kdh s HIS 119 Cb 0.41 -1.33 0.03 0.00 -0.00 0.00 0.00 32.58 31.69 3kdh s HIS 119 CO -0.03 0.54 1.69 -0.09 -0.00 0.00 0.00 174.74 176.86 3kdh h ARG 120 N 1.85 0.76 -5.59 1.40 2.43 -2.02 -3.39 114.38 109.81 3kdh h ARG 120 Ca -0.43 -0.15 -0.64 0.00 -0.81 0.00 0.00 59.98 57.95 3kdh h ARG 120 Cb 1.25 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.54 3kdh h ARG 120 CO 0.63 0.68 0.34 -0.51 -1.51 0.00 0.00 179.97 179.60 3kdh s LEU 121 N -9.74 4.38 0.14 3.80 1.43 -1.26 -4.66 118.68 112.77 3kdh s LEU 121 Ca -0.13 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3kdh s LEU 121 Cb 0.11 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3kdh s LEU 121 CO 0.78 -1.00 0.28 -0.54 0.23 0.00 0.00 176.35 176.10 3kdh s LYS 122 N 3.32 3.45 -1.49 1.70 1.02 -1.26 -4.52 119.74 121.96 3kdh s LYS 122 Ca 0.26 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 3kdh s LYS 122 Cb -0.14 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.22 3kdh s LYS 122 CO 0.19 0.52 0.72 0.09 -0.92 0.00 0.00 175.35 175.95 3kdh n ASN 123 N -0.41 -5.82 -4.72 2.83 3.02 -1.26 -1.07 115.26 107.83 3kdh n ASN 123 Ca -0.06 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 3kdh n ASN 123 Cb 0.53 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 3kdh n ASN 123 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kdh s TYR 124 N -3.18 3.09 -0.00 3.10 5.04 -1.26 -4.44 117.35 119.70 3kdh s TYR 124 Ca 0.39 0.81 -0.04 0.00 -2.44 0.00 0.00 57.07 55.79 3kdh s TYR 124 Cb -0.18 -3.84 -0.00 0.00 0.35 0.00 0.00 41.96 38.28 3kdh s TYR 124 CO 0.48 -2.99 0.07 -1.59 -1.34 0.00 0.00 175.55 170.17 3kdh s LYS 125 N 0.72 0.32 -0.01 4.97 -2.85 -0.38 -1.26 119.74 121.25 3kdh s LYS 125 Ca 0.66 -0.33 0.02 0.00 -1.00 0.00 0.00 55.97 55.32 3kdh s LYS 125 Cb -0.42 0.13 -0.00 0.00 -2.06 0.00 0.00 37.83 35.48 3kdh s LYS 125 CO 0.34 -0.06 -0.07 0.45 0.10 0.00 0.00 175.35 176.10 3kdh s SER 126 N -1.03 0.91 -0.10 0.03 0.15 -0.42 -1.27 113.70 111.97 3kdh s SER 126 Ca -0.11 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.43 3kdh s SER 126 Cb -0.07 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3kdh s SER 126 CO 0.00 0.08 -0.18 -0.69 1.20 0.00 0.00 173.24 173.65 3kdh s VAL 127 N -0.08 1.65 -0.09 4.45 1.01 -0.15 -1.57 120.40 125.63 3kdh s VAL 127 Ca 0.02 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3kdh s VAL 127 Cb -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3kdh s VAL 127 CO -0.00 0.47 -0.20 -0.89 0.00 0.00 0.00 175.10 174.48 3kdh s THR 128 N 0.65 1.76 0.15 3.92 2.01 0.15 -0.75 115.64 123.53 3kdh s THR 128 Ca -0.13 -0.84 0.11 0.00 0.31 0.00 0.00 61.69 61.13 3kdh s THR 128 Cb -0.16 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3kdh s THR 128 CO 0.04 0.49 -0.25 -0.94 -0.69 0.00 0.00 174.62 173.27 3kdh s SER 129 N 0.45 3.24 -0.12 3.53 1.04 0.40 -0.73 113.70 121.52 3kdh s SER 129 Ca -0.17 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.47 3kdh s SER 129 Cb -0.17 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.74 3kdh s SER 129 CO 0.07 0.13 -0.15 -0.69 0.98 0.00 0.00 173.24 173.59 3kdh s VAL 130 N -1.36 1.51 -0.10 5.02 1.01 -0.17 -1.38 120.40 124.93 3kdh s VAL 130 Ca 0.16 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3kdh s VAL 130 Cb -0.09 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.92 3kdh s VAL 130 CO 0.07 0.45 -0.05 0.20 0.00 0.00 0.00 175.10 175.76 3kdh s ASN 131 N 1.18 1.95 0.01 3.32 0.01 -0.61 -4.67 114.94 116.12 3kdh s ASN 131 Ca -0.02 -0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 51.79 3kdh s ASN 131 Cb -0.14 -0.71 -0.05 0.00 0.41 0.00 0.00 41.25 40.76 3kdh s ASN 131 CO -0.05 -0.13 0.35 -0.70 -1.51 0.00 0.00 177.10 175.05 3kdh s GLU 132 N 1.73 3.75 -0.09 -0.60 2.12 -1.26 -0.26 118.70 124.08 3kdh s GLU 132 Ca 0.04 0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.59 3kdh s GLU 132 Cb -0.13 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.14 3kdh s GLU 132 CO -0.07 0.66 -0.19 -0.06 -0.54 0.00 0.00 175.26 175.07 3kdh s PHE 133 N -1.20 2.13 -0.29 5.30 0.08 0.45 -4.97 117.98 119.47 3kdh s PHE 133 Ca 0.26 -0.89 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 3kdh s PHE 133 Cb -0.15 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3kdh s PHE 133 CO 0.14 -0.40 0.24 -1.17 -0.10 0.00 0.00 175.22 173.93 3kdh s LEU 134 N 0.58 4.15 -0.36 -0.37 2.96 -1.26 -1.29 118.68 123.08 3kdh s LEU 134 Ca -0.15 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 3kdh s LEU 134 Cb -0.17 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.35 3kdh s LEU 134 CO 0.05 -0.12 1.28 0.21 -1.32 0.00 0.00 176.35 176.44 3kdh s ASN 135 N 1.73 6.60 0.44 3.68 3.84 -0.14 -4.91 114.94 126.19 3kdh s ASN 135 Ca 0.08 0.95 0.24 0.00 0.21 0.00 0.00 52.86 54.34 3kdh s ASN 135 Cb -0.16 -2.54 0.96 0.00 -0.55 0.00 0.00 41.25 38.95 3kdh s ASN 135 CO 0.11 -1.19 1.85 1.56 -2.79 0.00 0.00 177.10 176.64 3kdh h GLN 136 N 9.52 0.00 0.00 0.43 1.08 -1.96 -3.23 115.11 120.95 3kdh h GLN 136 Ca -0.25 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3kdh h GLN 136 Cb 1.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3kdh h GLN 136 CO 1.07 0.23 -0.14 0.38 -0.95 0.00 0.00 178.83 179.42 3kdh h ASP 137 N 0.00 0.00 -3.06 1.46 3.04 -1.96 -3.45 116.42 112.44 3kdh h ASP 137 Ca -0.00 -0.78 -0.24 0.00 -3.24 0.00 0.00 57.03 52.76 3kdh h ASP 137 Cb 0.71 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 39.10 3kdh h ASP 137 CO 0.03 0.97 0.24 -1.20 -2.04 0.00 0.00 179.24 177.24 3kdh n SER 138 N -4.62 0.07 -0.85 4.15 7.64 -1.22 -4.97 113.62 113.82 3kdh n SER 138 Ca -0.11 -1.28 0.08 0.00 1.01 0.00 0.00 58.87 58.58 3kdh n SER 138 Cb 0.42 -0.57 0.18 0.00 -1.01 0.00 0.00 64.21 63.23 3kdh n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kdh n GLY 139 N 0.09 2.00 3.81 0.23 0.00 -1.25 -4.70 105.19 105.37 3kdh n GLY 139 Ca 0.09 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3kdh n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdh s LYS 140 N -1.09 4.27 0.24 1.61 1.02 -1.26 -4.79 119.74 119.74 3kdh s LYS 140 Ca 0.29 1.18 0.09 0.00 0.02 0.00 0.00 55.97 57.55 3kdh s LYS 140 Cb 0.16 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3kdh s LYS 140 CO 0.22 -0.00 -0.02 0.14 -0.92 0.00 0.00 175.35 174.76 3kdh s VAL 141 N -2.06 3.42 0.27 3.17 -7.23 -1.26 -0.97 120.40 115.73 3kdh s VAL 141 Ca 0.60 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 3kdh s VAL 141 Cb -0.11 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.04 3kdh s VAL 141 CO 0.16 -0.29 0.48 -0.72 -0.31 0.00 0.00 175.10 174.41 3kdh s TYR 142 N -2.14 0.51 -0.01 2.82 1.13 -0.41 -4.31 117.35 114.93 3kdh s TYR 142 Ca 0.30 -0.86 0.07 0.00 -1.41 0.00 0.00 57.07 55.17 3kdh s TYR 142 Cb -0.07 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.91 3kdh s TYR 142 CO 0.19 -1.03 -0.21 0.99 -2.51 0.00 0.00 175.55 172.97 3kdh s THR 143 N -3.78 1.69 -0.21 -3.49 2.01 0.32 -0.41 115.64 111.77 3kdh s THR 143 Ca 0.24 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 3kdh s THR 143 Cb -0.00 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.09 3kdh s THR 143 CO 0.11 0.46 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 3kdh s VAL 144 N -0.52 3.13 -0.13 3.82 1.01 0.64 -0.12 120.40 128.23 3kdh s VAL 144 Ca 0.08 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3kdh s VAL 144 Cb -0.08 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3kdh s VAL 144 CO -0.01 0.44 0.27 -0.69 0.00 0.00 0.00 175.10 175.11 3kdh s VAL 145 N 1.44 5.31 -0.15 2.92 1.01 0.08 -1.57 120.40 129.44 3kdh s VAL 145 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3kdh s VAL 145 Cb -0.14 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3kdh s VAL 145 CO -0.05 0.47 -0.15 -0.76 0.00 0.00 0.00 175.10 174.61 3kdh s LEU 146 N -0.09 2.54 -0.12 3.92 1.43 -0.48 -1.24 118.68 124.64 3kdh s LEU 146 Ca 0.17 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3kdh s LEU 146 Cb -0.13 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3kdh s LEU 146 CO 0.05 0.10 -0.10 -0.70 0.23 0.00 0.00 176.35 175.93 3kdh s GLU 147 N 0.73 1.75 0.08 1.70 2.12 0.11 -0.45 118.70 124.74 3kdh s GLU 147 Ca -0.06 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 54.98 3kdh s GLU 147 Cb -0.15 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.48 3kdh s GLU 147 CO 0.01 -0.24 -0.10 -1.54 -0.54 0.00 0.00 175.26 172.85 3kdh s SER 148 N 1.58 4.38 0.10 -1.70 1.04 0.07 -0.25 113.70 118.93 3kdh s SER 148 Ca 0.04 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3kdh s SER 148 Cb -0.13 -0.85 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 3kdh s SER 148 CO -0.08 0.20 -0.02 -0.72 0.98 0.00 0.00 173.24 173.60 3kdh s TYR 149 N -1.16 0.83 0.00 5.02 1.13 -0.60 -0.97 117.35 121.61 3kdh s TYR 149 Ca 0.20 -1.04 0.03 0.00 -1.41 0.00 0.00 57.07 54.86 3kdh s TYR 149 Cb -0.11 -0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 3kdh s TYR 149 CO 0.12 -0.29 -0.11 0.99 -2.51 0.00 0.00 175.55 173.75 3kdh s THR 150 N -3.79 0.85 -0.12 -3.49 2.01 -0.40 -2.40 115.64 108.29 3kdh s THR 150 Ca 0.15 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 3kdh s THR 150 Cb 0.07 -0.73 0.05 0.00 0.01 0.00 0.00 72.50 71.89 3kdh s THR 150 CO -0.04 0.16 0.50 0.54 -0.69 0.00 0.00 174.62 175.09 3kdh s VAL 151 N -0.41 0.01 0.26 3.82 0.11 -0.52 -1.25 120.40 122.44 3kdh s VAL 151 Ca 0.03 -0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 3kdh s VAL 151 Cb -0.05 -0.75 -0.09 0.00 -1.53 0.00 0.00 36.38 33.96 3kdh s VAL 151 CO -0.00 -0.06 1.27 -1.81 -3.33 0.00 0.00 175.10 171.16 3kdh s ASP 152 N -0.42 6.92 -0.29 3.54 1.11 -0.23 -0.20 116.67 127.09 3kdh s ASP 152 Ca -0.06 2.49 -0.29 0.00 0.18 0.00 0.00 52.55 54.87 3kdh s ASP 152 Cb -0.03 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.34 3kdh s ASP 152 CO 0.03 -0.46 1.06 -0.63 1.18 0.00 0.00 175.17 176.36 3kdh s ILE 153 N -0.60 4.57 0.51 0.77 1.01 -0.09 -4.24 121.20 123.13 3kdh s ILE 153 Ca 0.51 1.82 -0.22 0.00 0.00 0.00 0.00 60.65 62.76 3kdh s ILE 153 Cb -0.37 -4.38 -0.06 0.00 0.01 0.00 0.00 42.46 37.66 3kdh s ILE 153 CO 0.44 -0.38 1.27 -2.84 0.00 0.00 0.00 174.94 173.43 3kdh s PRO 154 N 3.50 3.42 0.08 2.79 0.02 -1.26 -4.91 135.00 138.64 3kdh s PRO 154 Ca 0.45 2.01 -0.34 0.00 0.02 0.00 0.00 61.00 63.14 3kdh s PRO 154 Cb -0.13 -2.32 -0.13 0.00 0.02 0.00 0.00 34.50 31.95 3kdh s PRO 154 CO 0.12 -0.90 1.70 -1.91 -0.33 0.00 0.00 177.00 175.69 3kdh n GLU 155 N -0.80 2.25 0.00 5.54 4.07 -1.26 -1.35 120.64 129.09 3kdh n GLU 155 Ca 0.09 0.82 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 3kdh n GLU 155 Cb 0.46 -2.63 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 3kdh n GLU 155 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kdh n GLY 156 N 3.82 3.35 3.89 8.31 0.00 -1.26 -5.06 105.19 118.23 3kdh n GLY 156 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3kdh n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kdh s ASN 157 N -0.84 5.19 0.14 1.61 -0.87 -0.46 -5.10 114.94 114.62 3kdh s ASN 157 Ca 0.00 1.04 0.05 0.00 -1.57 0.00 0.00 52.86 52.38 3kdh s ASN 157 Cb 0.00 -1.76 -0.04 0.00 -0.02 0.00 0.00 41.25 39.44 3kdh s ASN 157 CO 0.00 -1.49 0.11 0.42 -2.57 0.00 0.00 177.10 173.57 3kdh s THR 158 N -3.42 4.46 0.15 1.60 -4.23 -1.26 -4.90 115.64 108.03 3kdh s THR 158 Ca 0.59 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.92 3kdh s THR 158 Cb -0.11 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.50 3kdh s THR 158 CO 0.51 -0.04 1.80 -0.08 -0.54 0.00 0.00 174.62 176.27 3kdh h GLU 159 N 2.67 0.50 -0.47 3.99 4.81 -1.97 -1.48 114.58 122.63 3kdh h GLU 159 Ca -0.47 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 3kdh h GLU 159 Cb 1.19 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3kdh h GLU 159 CO 0.64 0.34 -0.22 0.93 -0.73 0.00 0.00 179.01 179.96 3kdh h GLU 160 N 0.51 0.97 -0.12 1.92 4.39 -1.99 -1.19 114.58 119.07 3kdh h GLU 160 Ca 0.14 -0.42 -0.15 0.00 0.34 0.00 0.00 59.36 59.28 3kdh h GLU 160 Cb -0.05 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3kdh h GLU 160 CO -0.03 1.09 -0.56 -0.44 -1.16 0.00 0.00 179.01 177.91 3kdh h ASP 161 N 0.84 0.40 -0.34 1.42 3.32 -1.97 -1.17 116.42 118.92 3kdh h ASP 161 Ca 0.11 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3kdh h ASP 161 Cb 0.80 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3kdh h ASP 161 CO 0.07 0.88 0.14 0.74 -1.72 0.00 0.00 179.24 179.34 3kdh h THR 162 N 0.27 1.18 -0.48 0.35 2.02 -1.14 -1.44 112.91 113.69 3kdh h THR 162 Ca 0.00 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3kdh h THR 162 Cb 1.06 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3kdh h THR 162 CO 0.09 0.20 0.31 0.50 0.37 0.00 0.00 175.52 176.98 3kdh h LYS 163 N 0.40 0.60 -0.52 6.66 3.64 -1.10 -1.14 116.57 125.11 3kdh h LYS 163 Ca 0.11 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3kdh h LYS 163 Cb 0.18 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3kdh h LYS 163 CO -0.01 0.40 0.33 1.98 -2.27 0.00 0.00 179.45 179.88 3kdh h MET 164 N 0.62 0.64 0.40 1.90 4.05 -1.07 0.19 114.93 121.66 3kdh h MET 164 Ca 0.18 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3kdh h MET 164 Cb -0.04 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 3kdh h MET 164 CO -0.06 0.43 -0.19 0.35 0.23 0.00 0.00 176.91 177.67 3kdh h PHE 165 N 0.66 -0.50 -0.52 1.39 3.57 -0.97 -1.52 116.94 119.04 3kdh h PHE 165 Ca 0.20 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 3kdh h PHE 165 Cb -0.03 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3kdh h PHE 165 CO -0.05 -0.29 -0.04 0.28 -2.23 0.00 0.00 178.31 175.98 3kdh h VAL 166 N -0.58 1.27 -0.77 1.41 2.07 -1.12 -2.10 116.25 116.42 3kdh h VAL 166 Ca -0.06 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.41 3kdh h VAL 166 Cb 0.44 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 3kdh h VAL 166 CO 0.09 0.41 0.41 0.44 0.02 0.00 0.00 177.57 178.94 3kdh h ASP 167 N 0.82 0.54 -0.19 0.57 5.19 -0.61 -0.51 116.42 122.23 3kdh h ASP 167 Ca 0.14 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 3kdh h ASP 167 Cb 0.58 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 3kdh h ASP 167 CO 0.04 0.29 -0.05 0.74 -3.12 0.00 0.00 179.24 177.14 3kdh h THR 168 N 0.66 1.29 -0.44 0.35 2.02 -0.91 -1.02 112.91 114.86 3kdh h THR 168 Ca 0.39 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3kdh h THR 168 Cb 0.43 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 3kdh h THR 168 CO -0.28 0.31 0.27 0.58 0.37 0.00 0.00 175.52 176.76 3kdh h VAL 169 N 0.09 1.14 -0.34 3.16 2.07 -1.07 -1.22 116.25 120.08 3kdh h VAL 169 Ca 0.05 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3kdh h VAL 169 Cb 0.49 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3kdh h VAL 169 CO 0.02 0.14 0.09 0.58 0.02 0.00 0.00 177.57 178.42 3kdh h VAL 170 N 0.58 1.22 -0.90 2.57 2.07 -1.03 -1.49 116.25 119.27 3kdh h VAL 170 Ca 0.16 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3kdh h VAL 170 Cb -0.01 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3kdh h VAL 170 CO -0.03 0.25 0.59 0.50 0.02 0.00 0.00 177.57 178.90 3kdh h LYS 171 N 0.40 1.17 -0.45 1.57 1.63 -1.06 -1.03 116.57 118.79 3kdh h LYS 171 Ca 0.11 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 3kdh h LYS 171 Cb 0.28 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3kdh h LYS 171 CO -0.00 0.77 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.69 3kdh h LEU 172 N 1.20 0.72 -0.54 5.20 3.38 -0.84 -0.25 115.31 124.18 3kdh h LEU 172 Ca 0.33 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3kdh h LEU 172 Cb -0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3kdh h LEU 172 CO -0.08 0.79 -0.05 0.78 0.09 0.00 0.00 178.44 179.97 3kdh h ASN 173 N 0.70 0.99 -0.30 -0.43 2.35 -0.89 -1.68 115.58 116.31 3kdh h ASN 173 Ca 0.14 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3kdh h ASN 173 Cb 0.45 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3kdh h ASN 173 CO 0.02 1.08 0.06 -0.07 -1.65 0.00 0.00 177.43 176.87 3kdh h LEU 174 N 0.87 0.54 -0.80 1.61 3.38 -0.51 0.01 115.31 120.42 3kdh h LEU 174 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3kdh h LEU 174 Cb 0.61 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3kdh h LEU 174 CO 0.04 0.57 0.28 1.56 0.09 0.00 0.00 178.44 180.99 3kdh h GLN 175 N 0.57 1.18 -0.42 1.13 4.20 -0.74 -0.62 115.11 120.41 3kdh h GLN 175 Ca 0.13 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3kdh h GLN 175 Cb 0.28 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3kdh h GLN 175 CO 0.00 0.97 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.90 3kdh h LYS 176 N 1.14 0.76 -0.72 1.46 3.64 -0.64 -1.67 116.57 120.54 3kdh h LYS 176 Ca 0.26 -0.25 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3kdh h LYS 176 Cb 0.25 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 3kdh h LYS 176 CO -0.02 0.84 0.30 1.25 -2.27 0.00 0.00 179.45 179.56 3kdh h LEU 177 N 0.59 0.31 -0.51 5.20 5.85 -0.81 -1.15 115.31 124.79 3kdh h LEU 177 Ca 0.12 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3kdh h LEU 177 Cb 0.51 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3kdh h LEU 177 CO 0.03 0.15 0.33 1.23 -0.34 0.00 0.00 178.44 179.84 3kdh h GLY 178 N 0.48 0.72 1.00 3.75 0.00 -0.57 -1.00 103.07 107.45 3kdh h GLY 178 Ca 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3kdh h GLY 178 CO -0.35 0.25 0.37 -2.08 0.00 0.00 0.00 176.54 174.72 3kdh h VAL 179 N 0.68 1.20 -0.30 4.60 2.07 -0.77 -0.58 116.25 123.15 3kdh h VAL 179 Ca 0.19 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3kdh h VAL 179 Cb -0.06 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3kdh h VAL 179 CO -0.05 0.21 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 3kdh h ALA 180 N 1.18 0.40 -0.07 1.67 0.00 -0.91 -0.38 119.26 121.14 3kdh h ALA 180 Ca 0.23 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kdh h ALA 180 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kdh h ALA 180 CO -0.04 0.17 -0.38 0.00 0.00 0.00 0.00 179.25 179.00 3kdh h ALA 181 N 0.82 1.24 0.00 0.00 0.00 -1.04 -1.41 119.26 118.88 3kdh h ALA 181 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kdh h ALA 181 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kdh h ALA 181 CO 0.02 0.53 -0.78 1.79 0.00 0.00 0.00 179.25 180.81 3kdh h THR 182 N 0.12 0.00 0.00 0.00 1.35 -0.86 -3.43 112.91 110.09 3kdh h THR 182 Ca 0.01 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3kdh h THR 182 Cb 0.72 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3kdh h THR 182 CO 0.05 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.78 3kdh n SER 183 N -2.57 0.00 -4.91 5.36 3.41 -0.18 -5.07 113.62 109.67 3kdh n SER 183 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.30 3kdh n SER 183 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 3kdh n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kdh s ALA 184 N 0.00 3.93 0.44 7.33 0.00 -0.54 -5.03 121.76 127.89 3kdh s ALA 184 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 3kdh s ALA 184 Cb 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 3kdh s ALA 184 CO 0.00 0.75 1.24 -2.30 0.00 0.00 0.00 175.76 175.45 3kdh n PRO 185 N 0.49 1.80 -1.50 0.00 -0.02 -1.26 -4.83 135.00 129.68 3kdh n PRO 185 Ca -0.06 0.64 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 3kdh n PRO 185 Cb 0.52 -2.36 0.15 0.00 -0.02 0.00 0.00 33.50 31.79 3kdh n PRO 185 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3kdh s MET 186 N -2.28 0.85 0.00 -0.52 -1.94 -1.26 -5.07 119.30 109.08 3kdh s MET 186 Ca 0.63 0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 3kdh s MET 186 Cb -0.50 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 34.53 3kdh s MET 186 CO 0.57 -2.38 0.00 0.72 -0.01 0.00 0.00 175.02 173.91 3kdh n HIS 187 N -3.88 0.00 0.00 -0.03 8.25 -1.26 -5.12 115.22 113.17 3kdh n HIS 187 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3kdh n HIS 187 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 3kdh n HIS 187 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kdh n ASP 188 N 0.00 0.00 0.00 0.41 3.85 -1.26 -5.30 116.55 114.25 3kdh n ASP 188 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3kdh n ASP 188 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3kdh n ASP 188 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66