#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdh s SER 3 N 0.00 5.79 -0.11 4.04 0.01 0.23 -4.88 113.70 118.78 3kdh s SER 3 Ca 0.00 -0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 3kdh s SER 3 Cb 0.00 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.61 3kdh s SER 3 CO 0.00 -0.00 0.31 -0.55 0.41 0.00 0.00 173.24 173.41 3kdh s SER 4 N -3.57 6.53 0.48 2.44 0.15 -1.26 -1.39 113.70 117.08 3kdh s SER 4 Ca 0.33 0.63 -0.19 0.00 0.70 0.00 0.00 55.95 57.41 3kdh s SER 4 Cb -0.09 -2.19 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 3kdh s SER 4 CO 0.26 0.19 0.99 -2.84 1.20 0.00 0.00 173.24 173.03 3kdh s PRO 5 N -0.08 3.97 0.30 5.44 0.02 -1.26 -4.98 135.00 138.40 3kdh s PRO 5 Ca 0.19 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.04 3kdh s PRO 5 Cb -0.14 -2.14 -0.12 0.00 0.02 0.00 0.00 34.50 32.13 3kdh s PRO 5 CO 0.06 -0.26 1.60 0.00 -0.33 0.00 0.00 177.00 178.08 3kdh n ALA 6 N -1.09 2.60 -3.58 -1.55 0.00 -1.26 -5.00 120.51 110.63 3kdh n ALA 6 Ca 0.08 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 3kdh n ALA 6 Cb 0.54 -2.47 -0.14 0.00 0.00 0.00 0.00 19.45 17.37 3kdh n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kdh s VAL 7 N -0.04 3.21 0.06 0.00 1.01 -1.26 -4.59 120.40 118.79 3kdh s VAL 7 Ca 0.63 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3kdh s VAL 7 Cb -0.49 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3kdh s VAL 7 CO 0.49 0.42 -0.18 -1.59 0.00 0.00 0.00 175.10 174.25 3kdh s LYS 8 N 1.45 1.10 0.00 2.72 -2.85 -1.26 -4.82 119.74 116.09 3kdh s LYS 8 Ca 0.05 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 54.11 3kdh s LYS 8 Cb -0.14 -1.20 0.00 0.00 -2.06 0.00 0.00 37.83 34.43 3kdh s LYS 8 CO -0.04 0.29 0.00 0.41 0.10 0.00 0.00 175.35 176.11 3kdh n GLY 9 N 1.67 0.71 3.46 0.59 0.00 -1.26 -4.48 105.19 105.88 3kdh n GLY 9 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 0.75 0.99 1.43 -1.26 -4.94 118.68 118.25 3kdh s LEU 10 Ca 0.00 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 3kdh s LEU 10 Cb 0.00 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.29 3kdh s LEU 10 CO 0.00 -0.07 1.09 0.42 0.23 0.00 0.00 176.35 178.02 3kdh s THR 11 N -2.65 3.39 0.27 5.49 -4.23 -1.26 -4.88 115.64 111.77 3kdh s THR 11 Ca 0.29 0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 61.21 3kdh s THR 11 Cb -0.02 -3.29 0.23 0.00 1.34 0.00 0.00 72.50 70.76 3kdh s THR 11 CO 0.13 -0.59 1.91 0.44 -0.54 0.00 0.00 174.62 175.97 3kdh h ASP 12 N -0.87 1.01 -0.31 3.99 3.32 -2.01 -0.73 116.42 120.83 3kdh h ASP 12 Ca -0.46 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.39 3kdh h ASP 12 Cb 1.25 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3kdh h ASP 12 CO 0.60 0.79 -0.33 -0.33 -1.72 0.00 0.00 179.24 178.26 3kdh h GLU 13 N 1.15 0.77 -0.38 3.56 3.07 -1.99 -0.01 114.58 120.75 3kdh h GLU 13 Ca 0.30 -0.41 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3kdh h GLU 13 Cb -0.02 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3kdh h GLU 13 CO -0.05 1.04 0.21 0.93 -1.40 0.00 0.00 179.01 179.74 3kdh h GLU 14 N 0.53 0.42 -0.38 2.33 5.08 -1.89 -0.75 114.58 119.92 3kdh h GLU 14 Ca 0.05 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3kdh h GLU 14 Cb 0.91 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 3kdh h GLU 14 CO 0.08 0.28 0.22 1.96 -1.00 0.00 0.00 179.01 180.55 3kdh h GLN 15 N 0.43 0.43 -0.45 2.33 4.20 -0.90 0.68 115.11 121.84 3kdh h GLN 15 Ca 0.15 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3kdh h GLN 15 Cb 0.02 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3kdh h GLN 15 CO -0.08 0.28 0.27 -0.22 -0.67 0.00 0.00 178.83 178.41 3kdh h LYS 16 N 0.44 0.53 -0.60 1.46 3.64 -0.80 -1.38 116.57 119.86 3kdh h LYS 16 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3kdh h LYS 16 Cb 0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3kdh h LYS 16 CO -0.08 0.35 0.35 1.15 -2.27 0.00 0.00 179.45 178.95 3kdh h THR 17 N 0.54 1.18 -0.02 1.00 2.02 -0.38 -2.65 112.91 114.60 3kdh h THR 17 Ca 0.18 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3kdh h THR 17 Cb 0.00 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3kdh h THR 17 CO -0.08 0.19 -0.03 0.18 0.37 0.00 0.00 175.52 176.15 3kdh n LEU 18 N -4.40 1.57 -0.10 2.58 4.77 0.16 -4.40 117.00 117.18 3kdh n LEU 18 Ca 0.06 -0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 55.46 3kdh n LEU 18 Cb 0.08 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kdh n LEU 18 CO 0.37 0.26 0.74 -0.08 -1.33 0.00 0.00 177.39 177.35 3kdh h GLU 19 N 2.42 -0.10 -0.53 3.23 4.81 -0.88 -1.25 114.58 122.27 3kdh h GLU 19 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kdh h GLU 19 Cb 0.54 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3kdh h GLU 19 CO 0.00 -0.07 0.27 -1.35 -0.73 0.00 0.00 179.01 177.13 3kdh h PRO 20 N -0.11 0.74 -0.30 0.92 0.11 -1.81 -0.39 132.00 131.17 3kdh h PRO 20 Ca 0.18 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3kdh h PRO 20 Cb 0.38 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3kdh h PRO 20 CO -0.43 0.56 0.07 0.28 -0.21 0.00 0.00 178.00 178.28 3kdh h VAL 21 N 0.75 1.22 -0.47 3.15 2.07 -1.61 -1.46 116.25 119.90 3kdh h VAL 21 Ca 0.19 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3kdh h VAL 21 Cb 0.05 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3kdh h VAL 21 CO -0.03 0.24 0.05 0.40 0.02 0.00 0.00 177.57 178.26 3kdh h ILE 22 N 0.33 1.25 -0.21 4.57 2.04 -0.88 0.09 117.51 124.70 3kdh h ILE 22 Ca 0.09 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3kdh h ILE 22 Cb 0.30 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3kdh h ILE 22 CO 0.00 0.33 -0.04 0.50 0.00 0.00 0.00 178.15 178.95 3kdh h LYS 23 N 0.65 0.32 0.11 2.37 1.63 -0.97 -0.67 116.57 120.01 3kdh h LYS 23 Ca 0.14 -0.06 -0.22 0.00 -0.85 0.00 0.00 60.65 59.66 3kdh h LYS 23 Cb 0.42 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 3kdh h LYS 23 CO 0.01 0.38 -1.05 1.15 -3.45 0.00 0.00 179.45 176.49 3kdh h THR 24 N 0.31 1.28 0.00 1.00 2.02 -0.91 -3.42 112.91 113.19 3kdh h THR 24 Ca 0.07 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.81 3kdh h THR 24 Cb 0.27 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3kdh h THR 24 CO 0.01 0.68 -1.32 -1.22 0.37 0.00 0.00 175.52 174.04 3kdh n TYR 25 N -4.09 0.00 -1.48 3.16 4.01 -0.01 -4.75 117.16 114.01 3kdh n TYR 25 Ca -0.20 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.61 3kdh n TYR 25 Cb 0.83 -0.17 0.19 0.00 -0.31 0.00 0.00 39.34 39.87 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 -1.75 0.00 -2.19 -0.72 8.25 -0.26 -4.92 115.22 113.63 3kdh n HIS 26 Ca -0.01 -1.35 -0.33 0.00 -0.26 0.00 0.00 57.72 55.77 3kdh n HIS 26 Cb 0.20 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 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 -3.09 3.56 0.27 -0.41 -1.52 -1.20 -4.48 119.66 112.79 3kdh s GLN 27 Ca 0.36 1.12 0.04 0.00 -1.95 0.00 0.00 55.36 54.93 3kdh s GLN 27 Cb 0.35 -2.07 -0.06 0.00 -0.22 0.00 0.00 33.01 31.01 3kdh s GLN 27 CO -0.05 -0.60 0.01 -0.59 -0.25 0.00 0.00 175.29 173.81 3kdh s PHE 28 N -2.50 1.73 -0.14 0.91 -0.12 -0.48 -4.91 117.98 112.46 3kdh s PHE 28 Ca 0.62 -0.91 0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3kdh s PHE 28 Cb -0.14 -1.04 0.02 0.00 -0.63 0.00 0.00 43.02 41.23 3kdh s PHE 28 CO 0.34 0.00 -0.16 -1.21 -0.05 0.00 0.00 175.22 174.15 3kdh s GLU 29 N -3.86 2.40 0.32 1.99 2.02 -1.26 0.77 118.70 121.08 3kdh s GLU 29 Ca 0.31 -0.61 -0.28 0.00 0.02 0.00 0.00 54.97 54.41 3kdh s GLU 29 Cb 0.06 -2.12 -0.13 0.00 0.10 0.00 0.00 34.13 32.05 3kdh s GLU 29 CO 0.11 -0.17 1.25 -2.30 0.02 0.00 0.00 175.26 174.17 3kdh n PRO 30 N 4.56 1.97 -3.60 0.39 -0.02 -1.26 -4.99 135.00 132.04 3kdh n PRO 30 Ca -0.18 0.69 -0.03 0.00 -2.02 0.00 0.00 63.50 61.96 3kdh n PRO 30 Cb 0.50 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3kdh n PRO 30 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kdh s ASP 31 N -0.30 -0.86 0.38 2.55 -1.08 -1.26 -5.03 116.67 111.07 3kdh s ASP 31 Ca 0.57 1.28 0.26 0.00 -0.52 0.00 0.00 52.55 54.14 3kdh s ASP 31 Cb -0.60 1.69 1.38 0.00 -1.46 0.00 0.00 42.92 43.92 3kdh s ASP 31 CO 0.61 -0.19 1.80 -0.65 0.52 0.00 0.00 175.17 177.26 3kdh h PRO 32 N 7.21 0.00 0.00 4.34 0.11 -2.04 -2.10 132.00 139.52 3kdh h PRO 32 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3kdh h PRO 32 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kdh h PRO 32 CO 0.14 0.00 -0.83 0.25 -0.21 0.00 0.00 178.00 177.34 3kdh n THR 33 N -2.42 0.01 -4.49 -1.15 -2.24 -1.26 -4.93 114.28 97.79 3kdh n THR 33 Ca -0.01 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.52 3kdh n THR 33 Cb 0.07 0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 68.88 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 -3.01 1.76 0.13 4.28 -4.23 -0.79 -0.57 115.64 113.21 3kdh s THR 34 Ca 0.09 -2.10 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 3kdh s THR 34 Cb 0.16 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 3kdh s THR 34 CO 0.81 -0.17 -0.20 0.00 -0.54 0.00 0.00 174.62 174.52 3kdh s THR 36 N -1.59 0.60 -0.01 0.00 -4.23 -1.26 -1.73 115.64 107.43 3kdh s THR 36 Ca 0.11 -1.80 -0.28 0.00 -1.18 0.00 0.00 61.69 58.53 3kdh s THR 36 Cb -0.08 -1.52 0.10 0.00 1.34 0.00 0.00 72.50 72.34 3kdh s THR 36 CO 0.05 -0.83 0.84 -0.55 -0.54 0.00 0.00 174.62 173.59 3kdh s SER 37 N -2.83 -0.43 -0.14 3.99 0.15 -1.12 -5.00 113.70 108.32 3kdh s SER 37 Ca 0.08 0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.90 3kdh s SER 37 Cb 0.04 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 3kdh s SER 37 CO -0.05 -0.63 -0.20 -0.22 1.20 0.00 0.00 173.24 173.34 3kdh s LEU 38 N -2.14 2.20 -0.08 3.45 2.96 -1.26 -1.64 118.68 122.18 3kdh s LEU 38 Ca 0.01 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3kdh s LEU 38 Cb -0.01 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3kdh s LEU 38 CO -0.06 0.09 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.34 3kdh s ILE 39 N 0.77 3.49 0.16 6.68 -1.09 0.37 -4.78 121.20 126.80 3kdh s ILE 39 Ca -0.08 -0.55 0.09 0.00 -2.23 0.00 0.00 60.65 57.89 3kdh s ILE 39 Cb -0.16 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 3kdh s ILE 39 CO -0.01 0.58 -0.15 0.42 -1.23 0.00 0.00 174.94 174.55 3kdh s THR 40 N -0.57 2.91 -0.15 2.92 -4.23 -1.26 -0.92 115.64 114.33 3kdh s THR 40 Ca 0.08 -1.67 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3kdh s THR 40 Cb -0.12 -2.40 0.06 0.00 1.34 0.00 0.00 72.50 71.39 3kdh s THR 40 CO 0.02 -0.04 0.33 -1.58 -0.54 0.00 0.00 174.62 172.81 3kdh s GLN 41 N -2.56 0.26 -0.07 3.99 2.00 -0.42 -5.00 119.66 117.87 3kdh s GLN 41 Ca 0.22 0.77 -0.17 0.00 -2.00 0.00 0.00 55.36 54.17 3kdh s GLN 41 Cb -0.09 0.03 -0.05 0.00 0.80 0.00 0.00 33.01 33.69 3kdh s GLN 41 CO 0.12 -0.22 0.46 0.50 -0.50 0.00 0.00 175.29 175.66 3kdh s ARG 42 N 1.92 4.23 -0.08 1.67 3.52 -1.26 -0.68 118.95 128.27 3kdh s ARG 42 Ca -0.05 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.02 3kdh s ARG 42 Cb -0.11 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 3kdh s ARG 42 CO -0.11 0.33 -0.10 0.42 -0.81 0.00 0.00 175.30 175.04 3kdh s ILE 43 N 0.05 1.02 -1.39 4.11 1.01 0.68 -4.99 121.20 121.70 3kdh s ILE 43 Ca 0.25 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 3kdh s ILE 43 Cb -0.16 -0.98 0.09 0.00 0.01 0.00 0.00 42.46 41.43 3kdh s ILE 43 CO 0.12 0.34 2.13 1.41 0.00 0.00 0.00 174.94 178.93 3kdh n HIS 44 N 4.15 3.16 -3.52 3.97 8.25 -1.26 -0.48 115.22 129.50 3kdh n HIS 44 Ca -0.20 -2.89 -0.13 0.00 -0.26 0.00 0.00 57.72 54.23 3kdh n HIS 44 Cb 0.51 -2.26 -0.04 0.00 1.12 0.00 0.00 29.99 29.32 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 1.72 -1.44 0.63 -1.41 0.00 -1.26 -4.83 121.76 115.17 3kdh s ALA 45 Ca 0.45 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 3kdh s ALA 45 Cb 0.13 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3kdh s ALA 45 CO -0.05 -0.59 1.15 -2.14 0.00 0.00 0.00 175.76 174.13 3kdh s PRO 46 N -2.87 2.87 0.50 0.00 0.02 -1.26 -3.12 135.00 131.15 3kdh s PRO 46 Ca -0.03 1.60 0.18 0.00 0.02 0.00 0.00 61.00 62.77 3kdh s PRO 46 Cb -0.00 -1.94 1.26 0.00 0.02 0.00 0.00 34.50 33.83 3kdh s PRO 46 CO -0.05 -1.23 2.10 0.00 -0.33 0.00 0.00 177.00 177.49 3kdh h ALA 47 N 0.46 1.78 0.00 -1.55 0.00 -1.92 -1.16 119.26 116.86 3kdh h ALA 47 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kdh h ALA 47 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kdh h ALA 47 CO 0.54 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.55 3kdh h SER 48 N 0.00 0.00 0.02 0.00 4.64 -2.00 0.08 113.55 116.28 3kdh h SER 48 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3kdh h SER 48 Cb 0.14 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 3kdh h SER 48 CO 0.01 0.00 -2.42 0.52 -0.87 0.00 0.00 176.83 174.07 3kdh n VAL 49 N -2.77 1.49 -0.06 0.95 0.31 -0.48 -4.45 118.33 113.31 3kdh n VAL 49 Ca -0.01 -0.64 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 3kdh n VAL 49 Cb 0.16 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 31.80 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 0.00 1.33 -0.40 2.52 2.07 -1.16 -3.36 116.25 117.26 3kdh h VAL 50 Ca -0.56 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 65.76 3kdh h VAL 50 Cb 1.99 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 33.51 3kdh h VAL 50 CO -0.05 0.37 0.13 -0.25 0.02 0.00 0.00 177.57 177.79 3kdh h TRP 51 N 0.02 0.24 -0.23 1.57 2.91 -1.23 -2.55 115.95 116.69 3kdh h TRP 51 Ca 0.03 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.14 3kdh h TRP 51 Cb 0.64 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 3kdh h TRP 51 CO 0.08 0.09 0.17 -1.35 -1.03 0.00 0.00 178.44 176.39 3kdh h PRO 52 N 0.29 0.00 -0.67 2.65 0.11 -1.78 0.57 132.00 133.17 3kdh h PRO 52 Ca 0.19 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 3kdh h PRO 52 Cb 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 3kdh h PRO 52 CO -0.20 0.00 0.25 -0.07 -0.21 0.00 0.00 178.00 177.77 3kdh h LEU 53 N 0.00 0.93 -0.01 2.35 3.38 -1.62 -1.98 115.31 118.37 3kdh h LEU 53 Ca 0.11 -0.18 -0.27 0.00 0.09 0.00 0.00 57.88 57.63 3kdh h LEU 53 Cb 0.44 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kdh h LEU 53 CO -0.00 0.86 -1.06 0.40 0.09 0.00 0.00 178.44 178.73 3kdh h ILE 54 N 0.95 1.30 0.00 1.22 2.04 -1.33 -3.32 117.51 118.37 3kdh h ILE 54 Ca 0.22 -2.33 -0.06 0.00 1.00 0.00 0.00 64.86 63.69 3kdh h ILE 54 Cb 0.24 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3kdh h ILE 54 CO -0.01 0.71 -0.28 -0.09 0.00 0.00 0.00 178.15 178.48 3kdh h ARG 55 N 0.34 0.00 -6.10 2.37 9.65 -0.82 -3.38 114.38 116.45 3kdh h ARG 55 Ca -0.13 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.19 3kdh h ARG 55 Cb 1.72 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 30.21 3kdh h ARG 55 CO 0.20 0.28 1.35 0.50 2.80 0.00 0.00 179.97 185.10 3kdh s ARG 56 N -3.86 3.40 0.40 0.20 6.06 -0.75 -4.83 118.95 119.56 3kdh s ARG 56 Ca -0.01 -0.87 0.13 0.00 -2.50 0.00 0.00 55.73 52.48 3kdh s ARG 56 Cb 0.12 -5.14 0.84 0.00 0.06 0.00 0.00 34.95 30.82 3kdh s ARG 56 CO 0.66 -2.34 1.90 0.35 -2.50 0.00 0.00 175.30 173.37 3kdh h PHE 57 N 10.11 0.04 -0.08 5.12 3.57 -1.82 -2.56 116.94 131.32 3kdh h PHE 57 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kdh h PHE 57 Cb 1.02 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3kdh h PHE 57 CO 1.25 0.30 0.00 -0.40 -2.23 0.00 0.00 178.31 177.23 3kdh n ASP 58 N -4.21 0.77 -2.84 0.41 3.85 -1.26 -4.25 116.55 109.02 3kdh n ASP 58 Ca -0.02 -1.60 -0.15 0.00 -0.71 0.00 0.00 54.79 52.31 3kdh n ASP 58 Cb 0.32 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.25 1.84 0.28 -1.12 4.05 -0.96 -4.62 115.26 114.48 3kdh n ASN 59 Ca 0.14 -3.00 0.15 0.00 0.45 0.00 0.00 54.58 52.32 3kdh n ASN 59 Cb 0.18 -0.55 0.81 0.00 1.23 0.00 0.00 39.78 41.45 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 2.95 0.00 -0.00 1.20 0.13 -1.75 -2.76 132.00 131.78 3kdh h PRO 60 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3kdh h PRO 60 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3kdh h PRO 60 CO 0.56 0.08 0.00 1.49 -0.23 0.00 0.00 178.00 179.90 3kdh h GLU 61 N 0.00 0.00 0.00 0.86 4.22 -1.90 -0.50 114.58 117.26 3kdh h GLU 61 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 3kdh h GLU 61 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kdh h GLU 61 CO 0.01 0.00 -0.05 0.00 -2.18 0.00 0.00 179.01 176.79 3kdh h ARG 62 N 0.00 0.00 0.00 1.92 3.08 -1.87 -3.22 114.38 114.28 3kdh h ARG 62 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdh h ARG 62 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3kdh h ARG 62 CO -0.00 0.05 0.00 2.48 -1.07 0.00 0.00 179.97 181.43 3kdh n TYR 63 N -3.25 0.00 -4.69 3.04 0.18 -0.65 -4.81 117.16 106.98 3kdh n TYR 63 Ca -0.01 -0.10 -0.26 0.00 1.88 0.00 0.00 57.90 59.41 3kdh n TYR 63 Cb 0.24 -0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.05 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 -0.19 1.46 0.56 -3.48 1.02 -0.29 -3.84 119.74 114.98 3kdh s LYS 64 Ca 0.00 -0.97 -0.08 0.00 0.02 0.00 0.00 55.97 54.94 3kdh s LYS 64 Cb 0.00 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 3kdh s LYS 64 CO 0.00 0.41 0.91 -1.01 -0.92 0.00 0.00 175.35 174.74 3kdh s HIS 65 N -0.80 3.55 -0.47 3.18 3.76 -1.26 -4.41 115.29 118.83 3kdh s HIS 65 Ca 0.08 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 56.00 3kdh s HIS 65 Cb -0.09 -2.55 0.00 0.00 1.11 0.00 0.00 32.58 31.05 3kdh s HIS 65 CO 0.02 -0.54 0.00 1.19 -0.85 0.00 0.00 174.74 174.56 3kdh n PHE 66 N -2.53 0.00 -3.55 1.40 3.72 -1.26 -4.97 117.46 110.27 3kdh n PHE 66 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 3kdh n PHE 66 Cb 0.55 -1.23 -0.09 0.00 -0.94 0.00 0.00 39.48 37.77 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 -2.01 5.29 -0.16 -4.37 1.01 -1.26 0.38 120.40 119.28 3kdh s VAL 67 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 3kdh s VAL 67 Cb 0.00 -3.59 -0.23 0.00 0.00 0.00 0.00 36.38 32.55 3kdh s VAL 67 CO 0.00 0.30 0.22 1.17 0.00 0.00 0.00 175.10 176.79 3kdh n LYS 68 N 4.38 0.72 -3.75 2.72 4.81 0.32 -4.94 118.16 122.42 3kdh n LYS 68 Ca -0.12 0.27 -0.07 0.00 -0.87 0.00 0.00 58.31 57.52 3kdh n LYS 68 Cb 0.52 -1.67 -0.02 0.00 0.02 0.00 0.00 35.03 33.88 3kdh n LYS 68 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3kdh s ARG 69 N -2.53 1.50 -0.18 1.64 1.70 -1.23 -5.01 118.95 114.84 3kdh s ARG 69 Ca -0.26 -0.78 -0.21 0.00 -0.47 0.00 0.00 55.73 54.01 3kdh s ARG 69 Cb 0.07 0.54 0.05 0.00 -0.57 0.00 0.00 34.95 35.05 3kdh s ARG 69 CO 0.71 -0.68 0.57 0.00 -1.08 0.00 0.00 175.30 174.82 3kdh s ARG 71 N -0.00 0.74 0.08 0.00 1.70 -0.93 -4.96 118.95 115.58 3kdh s ARG 71 Ca -0.02 -0.59 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 3kdh s ARG 71 Cb -0.04 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.60 3kdh s ARG 71 CO 0.02 -0.22 0.92 -0.51 -1.08 0.00 0.00 175.30 174.42 3kdh s LEU 72 N -2.10 4.47 -0.01 -1.89 1.43 -1.26 -0.77 118.68 118.55 3kdh s LEU 72 Ca -0.05 1.69 0.18 0.00 -1.03 0.00 0.00 54.13 54.92 3kdh s LEU 72 Cb -0.01 -3.50 -0.23 0.00 0.03 0.00 0.00 46.19 42.49 3kdh s LEU 72 CO -0.04 -0.07 0.61 2.30 0.23 0.00 0.00 176.35 179.39 3kdh n ILE 73 N 2.94 0.00 -3.58 -0.59 -5.35 0.25 -4.92 119.36 108.11 3kdh n ILE 73 Ca 0.02 -0.21 -0.16 0.00 -0.27 0.00 0.00 62.75 62.12 3kdh n ILE 73 Cb 0.50 0.64 -0.07 0.00 -1.74 0.00 0.00 39.64 38.97 3kdh n ILE 73 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3kdh s SER 74 N -3.22 -0.61 0.00 7.28 1.04 -1.13 -4.98 113.70 112.07 3kdh s SER 74 Ca 0.01 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.22 3kdh s SER 74 Cb 0.13 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.94 3kdh s SER 74 CO 0.74 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 175.06 3kdh n GLY 75 N 1.36 -1.19 0.04 7.32 0.00 -1.26 -1.08 105.19 110.37 3kdh n GLY 75 Ca -0.18 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3kdh n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kdh n ASP 76 N -1.22 1.45 0.00 1.61 3.85 -1.26 -4.91 116.55 116.07 3kdh n ASP 76 Ca 0.00 -1.92 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 3kdh n ASP 76 Cb 0.00 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 3kdh n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kdh n GLY 77 N -0.48 1.25 3.79 6.12 0.00 -1.26 -5.06 105.19 109.54 3kdh n GLY 77 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 1.90 -4.61 1.61 10.43 -1.26 -4.63 116.55 119.99 3kdh n ASP 78 Ca 0.00 -2.42 -0.46 0.00 2.57 0.00 0.00 54.79 54.49 3kdh n ASP 78 Cb 0.00 -0.46 -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 0.55 -1.07 0.00 0.00 177.20 176.68 3kdh n VAL 79 N -2.35 1.41 0.00 2.53 3.14 -1.26 -1.34 118.33 120.46 3kdh n VAL 79 Ca 0.16 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 3kdh n VAL 79 Cb 0.58 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 3kdh n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kdh n GLY 80 N 1.65 1.81 3.74 7.55 0.00 0.83 -5.02 105.19 115.76 3kdh n GLY 80 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.72 5.03 -0.09 1.61 0.01 -0.45 -4.70 113.70 113.38 3kdh s SER 81 Ca 0.00 2.57 0.02 0.00 1.31 0.00 0.00 55.95 59.85 3kdh s SER 81 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3kdh s SER 81 CO 0.00 -1.72 -0.15 -0.69 0.41 0.00 0.00 173.24 171.10 3kdh s VAL 82 N -1.44 1.40 0.07 3.43 1.01 -0.24 -1.00 120.40 123.63 3kdh s VAL 82 Ca 0.77 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3kdh s VAL 82 Cb -0.36 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3kdh s VAL 82 CO 0.39 0.42 -0.06 0.00 0.00 0.00 0.00 175.10 175.85 3kdh s ARG 83 N 0.86 2.38 -0.26 2.72 1.70 0.28 -0.58 118.95 126.04 3kdh s ARG 83 Ca -0.10 -0.88 -0.07 0.00 -0.47 0.00 0.00 55.73 54.21 3kdh s ARG 83 Cb -0.15 -2.43 -0.02 0.00 -0.57 0.00 0.00 34.95 31.77 3kdh s ARG 83 CO 0.01 0.55 0.07 -1.21 -1.08 0.00 0.00 175.30 173.64 3kdh s GLU 84 N -2.00 3.48 -0.19 3.89 2.02 0.05 -0.63 118.70 125.33 3kdh s GLU 84 Ca 0.21 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.55 3kdh s GLU 84 Cb -0.11 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 3kdh s GLU 84 CO 0.13 -0.27 0.04 0.08 0.02 0.00 0.00 175.26 175.26 3kdh s VAL 85 N 1.58 4.46 -0.29 2.63 1.01 0.63 -2.19 120.40 128.23 3kdh s VAL 85 Ca 0.05 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 3kdh s VAL 85 Cb -0.16 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3kdh s VAL 85 CO 0.03 0.45 0.51 -0.89 0.00 0.00 0.00 175.10 175.20 3kdh s THR 86 N 0.59 5.05 -0.05 3.92 2.01 0.25 -0.55 115.64 126.86 3kdh s THR 86 Ca 0.02 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.71 3kdh s THR 86 Cb -0.13 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3kdh s THR 86 CO 0.02 -0.02 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.20 3kdh s VAL 87 N 2.35 3.94 -0.11 3.82 1.01 0.36 -0.52 120.40 131.25 3kdh s VAL 87 Ca 0.20 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 3kdh s VAL 87 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3kdh s VAL 87 CO 0.11 0.54 0.17 -0.63 0.00 0.00 0.00 175.10 175.29 3kdh s ILE 88 N -0.90 5.45 0.00 2.22 -1.09 0.16 -2.44 121.20 124.60 3kdh s ILE 88 Ca 0.14 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 3kdh s ILE 88 Cb -0.11 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 3kdh s ILE 88 CO 0.04 0.61 0.00 -1.54 -1.23 0.00 0.00 174.94 172.82 3kdh n SER 89 N 1.96 0.00 0.29 3.58 3.41 -1.26 -4.84 113.62 116.77 3kdh n SER 89 Ca -0.19 -0.95 0.18 0.00 -0.26 0.00 0.00 58.87 57.65 3kdh n SER 89 Cb 0.55 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.34 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 -1.97 5.00 0.00 -2.04 -3.44 103.07 100.62 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 -0.08 1.08 0.00 0.00 0.00 176.54 177.54 3kdh s LEU 91 N -6.29 3.37 0.72 3.11 1.43 -1.26 -5.06 118.68 114.69 3kdh s LEU 91 Ca -0.01 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 3kdh s LEU 91 Cb 0.11 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.49 3kdh s LEU 91 CO 0.51 -1.04 0.98 -2.65 0.23 0.00 0.00 176.35 174.37 3kdh n PRO 92 N -2.23 0.51 -1.68 1.29 -0.02 -1.26 -4.87 135.00 126.74 3kdh n PRO 92 Ca 0.07 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3kdh n PRO 92 Cb 0.59 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 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 -2.51 1.04 -2.23 3.55 0.00 -1.26 -4.79 120.51 114.31 3kdh n ALA 93 Ca 0.13 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 3kdh n ALA 93 Cb 0.49 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 3kdh n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kdh s SER 94 N -0.23 0.63 -0.15 0.00 0.15 -1.02 -4.96 113.70 108.11 3kdh s SER 94 Ca 0.58 -1.31 -0.04 0.00 0.70 0.00 0.00 55.95 55.88 3kdh s SER 94 Cb -0.60 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 3kdh s SER 94 CO 0.59 -0.74 -0.02 -0.89 1.20 0.00 0.00 173.24 173.38 3kdh s THR 95 N -3.95 4.03 -0.22 6.45 2.01 -1.26 -0.49 115.64 122.21 3kdh s THR 95 Ca 0.33 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 3kdh s THR 95 Cb 0.07 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 3kdh s THR 95 CO 0.09 0.50 -0.00 -0.55 -0.69 0.00 0.00 174.62 173.97 3kdh s SER 96 N 0.20 4.68 -0.26 3.53 0.15 0.29 -4.89 113.70 117.40 3kdh s SER 96 Ca -0.01 -0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.22 3kdh s SER 96 Cb -0.14 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 3kdh s SER 96 CO 0.02 0.00 0.28 -0.89 1.20 0.00 0.00 173.24 173.86 3kdh s THR 97 N 1.36 5.25 -0.02 6.45 2.01 -1.26 -0.27 115.64 129.17 3kdh s THR 97 Ca 0.04 0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.46 3kdh s THR 97 Cb -0.15 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3kdh s THR 97 CO 0.00 0.23 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.45 3kdh s GLU 98 N 1.70 1.02 -0.06 4.92 2.02 0.20 -0.12 118.70 128.37 3kdh s GLU 98 Ca 0.12 -0.35 0.04 0.00 0.02 0.00 0.00 54.97 54.80 3kdh s GLU 98 Cb -0.15 -0.95 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 3kdh s GLU 98 CO 0.09 0.15 -0.19 0.50 0.02 0.00 0.00 175.26 175.83 3kdh s ARG 99 N 0.10 2.62 -0.51 1.61 3.52 0.03 -0.55 118.95 125.76 3kdh s ARG 99 Ca -0.02 -0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 54.51 3kdh s ARG 99 Cb -0.08 -2.32 0.03 0.00 -1.56 0.00 0.00 34.95 31.02 3kdh s ARG 99 CO 0.00 0.48 1.16 -1.17 -0.81 0.00 0.00 175.30 174.96 3kdh s LEU 100 N -0.37 3.57 -0.08 -0.88 2.96 -0.17 -1.77 118.68 121.93 3kdh s LEU 100 Ca 0.03 0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3kdh s LEU 100 Cb -0.12 -3.42 -0.24 0.00 0.50 0.00 0.00 46.19 42.91 3kdh s LEU 100 CO 0.02 -1.34 0.51 -0.62 -1.32 0.00 0.00 176.35 173.60 3kdh n GLU 101 N 8.06 0.68 -3.64 1.98 -0.58 0.18 -0.12 120.64 127.20 3kdh n GLU 101 Ca 0.11 0.27 -0.12 0.00 -0.42 0.00 0.00 57.16 57.00 3kdh n GLU 101 Cb 0.49 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.58 -0.85 -0.01 -0.32 5.36 -1.06 -4.82 117.98 113.70 3kdh s PHE 102 Ca -0.12 1.94 -0.00 0.00 -0.96 0.00 0.00 56.93 57.79 3kdh s PHE 102 Cb 0.07 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 43.14 3kdh s PHE 102 CO 0.80 -0.42 0.02 0.08 -1.46 0.00 0.00 175.22 174.24 3kdh s VAL 103 N 0.76 -0.02 -0.24 3.12 1.01 -1.26 -0.65 120.40 123.12 3kdh s VAL 103 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 3kdh s VAL 103 Cb -0.05 -0.05 0.07 0.00 0.00 0.00 0.00 36.38 36.35 3kdh s VAL 103 CO -0.05 0.03 -0.01 -0.62 0.00 0.00 0.00 175.10 174.45 3kdh s ASP 104 N 0.40 3.71 0.43 3.32 3.68 0.08 -4.99 116.67 123.29 3kdh s ASP 104 Ca -0.03 -1.21 0.23 0.00 2.13 0.00 0.00 52.55 53.66 3kdh s ASP 104 Cb -0.05 -1.03 0.86 0.00 -1.45 0.00 0.00 42.92 41.26 3kdh s ASP 104 CO -0.01 -0.28 1.80 0.44 0.13 0.00 0.00 175.17 177.25 3kdh h ASP 105 N 8.02 0.00 0.08 -0.34 3.32 -1.96 0.11 116.42 125.65 3kdh h ASP 105 Ca -0.16 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 3kdh h ASP 105 Cb 1.07 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.63 3kdh h ASP 105 CO 0.41 0.26 -0.49 0.44 -1.72 0.00 0.00 179.24 178.13 3kdh h ASP 106 N 0.00 0.30 1.05 6.45 3.32 -1.96 -3.25 116.42 122.33 3kdh h ASP 106 Ca -0.00 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 56.10 3kdh h ASP 106 Cb 0.78 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3kdh h ASP 106 CO 0.03 1.22 -0.04 1.41 -1.72 0.00 0.00 179.24 180.15 3kdh n HIS 107 N -4.32 0.18 -3.28 4.55 8.25 -1.22 -4.96 115.22 114.41 3kdh n HIS 107 Ca -0.12 0.05 -0.15 0.00 -0.26 0.00 0.00 57.72 57.24 3kdh n HIS 107 Cb 0.68 -0.57 0.07 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.65 -3.16 -4.85 -0.41 1.74 0.29 -4.41 116.66 104.21 3kdh n ARG 108 Ca 0.07 0.86 -0.26 0.00 -0.77 0.00 0.00 57.85 57.75 3kdh n ARG 108 Cb 0.36 -5.83 -0.16 0.00 -1.02 0.00 0.00 32.46 25.81 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 -3.38 1.45 -0.03 1.55 1.01 -0.53 -1.14 120.40 119.34 3kdh s VAL 109 Ca 0.36 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3kdh s VAL 109 Cb -0.05 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3kdh s VAL 109 CO 0.74 0.42 -0.03 -0.22 0.00 0.00 0.00 175.10 176.01 3kdh s LEU 110 N 0.03 1.42 -0.04 3.92 0.20 -0.09 -0.74 118.68 123.38 3kdh s LEU 110 Ca -0.04 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.76 3kdh s LEU 110 Cb -0.12 -0.30 -0.01 0.00 -0.43 0.00 0.00 46.19 45.33 3kdh s LEU 110 CO 0.02 -0.05 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.41 3kdh s SER 111 N 0.72 2.32 0.10 3.68 0.01 0.18 -0.66 113.70 120.05 3kdh s SER 111 Ca -0.08 -0.38 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 3kdh s SER 111 Cb -0.11 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 3kdh s SER 111 CO -0.01 0.19 -0.00 0.72 0.41 0.00 0.00 173.24 174.55 3kdh s PHE 112 N -0.12 0.76 0.03 2.43 -0.12 -0.67 -0.65 117.98 119.64 3kdh s PHE 112 Ca -0.01 -1.11 0.00 0.00 -0.05 0.00 0.00 56.93 55.77 3kdh s PHE 112 Cb -0.11 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 41.79 3kdh s PHE 112 CO 0.02 -0.38 -0.04 -0.98 -0.05 0.00 0.00 175.22 173.78 3kdh s ARG 113 N -3.95 0.38 -0.05 1.99 1.70 -0.73 -1.25 118.95 117.05 3kdh s ARG 113 Ca 0.15 -0.71 -0.27 0.00 -0.47 0.00 0.00 55.73 54.43 3kdh s ARG 113 Cb 0.07 0.06 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 3kdh s ARG 113 CO -0.04 -0.04 0.86 0.08 -1.08 0.00 0.00 175.30 175.09 3kdh s VAL 114 N -1.77 4.93 -0.37 4.99 1.01 -0.22 -0.79 120.40 128.19 3kdh s VAL 114 Ca -0.12 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 3kdh s VAL 114 Cb -0.08 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3kdh s VAL 114 CO -0.02 0.17 0.26 -0.69 0.00 0.00 0.00 175.10 174.82 3kdh s VAL 115 N 1.12 5.19 0.00 2.92 1.01 0.83 -4.61 120.40 126.86 3kdh s VAL 115 Ca 0.45 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3kdh s VAL 115 Cb -0.19 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3kdh s VAL 115 CO 0.22 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3kdh n GLY 116 N 5.11 2.25 0.00 4.51 0.00 -1.26 -4.52 105.19 111.28 3kdh n GLY 116 Ca -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3kdh n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdh n GLY 117 N 0.00 -0.16 2.11 -0.02 0.00 -1.26 -4.74 105.19 101.12 3kdh n GLY 117 Ca 0.00 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 3kdh n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdh n GLU 118 N -0.18 3.49 -3.04 1.61 -0.58 -1.26 -5.04 120.64 115.63 3kdh n GLU 118 Ca 0.00 -4.10 -0.31 0.00 -0.42 0.00 0.00 57.16 52.32 3kdh n GLU 118 Cb 0.00 -2.28 -0.05 0.00 -0.57 0.00 0.00 31.44 28.54 3kdh n GLU 118 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3kdh s HIS 119 N -3.62 3.42 0.17 -0.32 3.76 -1.26 -4.98 115.29 112.45 3kdh s HIS 119 Ca 0.52 1.12 -0.13 0.00 -0.15 0.00 0.00 55.06 56.42 3kdh s HIS 119 Cb 0.42 -2.47 0.07 0.00 1.11 0.00 0.00 32.58 31.71 3kdh s HIS 119 CO 0.01 0.03 1.79 -0.09 -0.85 0.00 0.00 174.74 175.62 3kdh h ARG 120 N 1.86 0.80 -5.62 1.40 2.43 -2.01 -3.38 114.38 109.87 3kdh h ARG 120 Ca -0.47 -0.09 -0.64 0.00 -0.81 0.00 0.00 59.98 57.97 3kdh h ARG 120 Cb 1.18 -0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 30.43 3kdh h ARG 120 CO 0.65 0.61 0.34 -0.51 -1.51 0.00 0.00 179.97 179.55 3kdh s LEU 121 N -9.97 4.36 0.14 3.80 1.43 -1.26 -4.63 118.68 112.56 3kdh s LEU 121 Ca -0.13 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3kdh s LEU 121 Cb 0.13 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 3kdh s LEU 121 CO 0.77 -1.00 0.25 -0.54 0.23 0.00 0.00 176.35 176.06 3kdh s LYS 122 N 3.34 3.36 -1.47 1.70 1.02 -1.26 -4.55 119.74 121.88 3kdh s LYS 122 Ca 0.26 -0.62 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 3kdh s LYS 122 Cb -0.14 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 3kdh s LYS 122 CO 0.19 0.52 0.85 0.09 -0.92 0.00 0.00 175.35 176.09 3kdh n ASN 123 N -0.43 -5.89 -4.73 2.83 3.02 -1.26 -1.27 115.26 107.54 3kdh n ASN 123 Ca -0.07 -0.45 -0.42 0.00 -0.03 0.00 0.00 54.58 53.62 3kdh n ASN 123 Cb 0.54 -4.71 -0.03 0.00 -0.61 0.00 0.00 39.78 34.97 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 -3.23 3.25 -0.01 3.10 5.04 -1.26 -4.42 117.35 119.83 3kdh s TYR 124 Ca 0.46 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 56.19 3kdh s TYR 124 Cb -0.21 -3.64 0.01 0.00 0.35 0.00 0.00 41.96 38.47 3kdh s TYR 124 CO 0.57 -2.11 -0.00 0.15 -1.34 0.00 0.00 175.55 172.82 3kdh s LYS 125 N 0.42 0.07 0.05 4.97 1.02 -0.41 -1.05 119.74 124.81 3kdh s LYS 125 Ca 0.60 0.01 0.01 0.00 0.02 0.00 0.00 55.97 56.61 3kdh s LYS 125 Cb -0.37 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 3kdh s LYS 125 CO 0.35 -0.02 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.16 3kdh s SER 126 N 0.24 0.72 -0.09 2.83 1.04 -0.38 -1.08 113.70 117.00 3kdh s SER 126 Ca -0.02 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.67 3kdh s SER 126 Cb -0.03 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3kdh s SER 126 CO -0.01 -0.38 -0.14 -0.69 0.98 0.00 0.00 173.24 173.01 3kdh s VAL 127 N -2.54 1.30 -0.09 5.02 1.01 -0.20 -1.67 120.40 123.24 3kdh s VAL 127 Ca -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3kdh s VAL 127 Cb -0.02 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 3kdh s VAL 127 CO -0.03 0.40 -0.23 -0.89 0.00 0.00 0.00 175.10 174.34 3kdh s THR 128 N 0.85 1.99 0.10 3.92 2.01 0.17 -0.98 115.64 123.70 3kdh s THR 128 Ca -0.10 -0.99 0.10 0.00 0.31 0.00 0.00 61.69 61.00 3kdh s THR 128 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 3kdh s THR 128 CO 0.01 0.55 -0.25 -0.94 -0.69 0.00 0.00 174.62 173.30 3kdh s SER 129 N 0.26 3.05 -0.18 3.53 1.04 0.31 -0.91 113.70 120.80 3kdh s SER 129 Ca -0.16 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3kdh s SER 129 Cb -0.17 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.76 3kdh s SER 129 CO 0.08 0.17 -0.14 -0.69 0.98 0.00 0.00 173.24 173.64 3kdh s VAL 130 N -1.00 1.73 -0.04 5.02 1.01 -0.29 -1.18 120.40 125.65 3kdh s VAL 130 Ca 0.11 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3kdh s VAL 130 Cb -0.10 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3kdh s VAL 130 CO 0.04 0.36 -0.18 0.20 0.00 0.00 0.00 175.10 175.52 3kdh s ASN 131 N 1.40 2.19 -0.02 3.32 -0.87 -0.59 -4.69 114.94 115.67 3kdh s ASN 131 Ca 0.02 -0.35 -0.07 0.00 -1.57 0.00 0.00 52.86 50.89 3kdh s ASN 131 Cb -0.14 -0.53 -0.05 0.00 -0.02 0.00 0.00 41.25 40.51 3kdh s ASN 131 CO -0.10 0.17 0.24 -0.70 -2.57 0.00 0.00 177.10 174.14 3kdh s GLU 132 N -0.07 3.56 -0.06 -0.60 2.12 -1.26 -0.24 118.70 122.16 3kdh s GLU 132 Ca -0.02 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.29 3kdh s GLU 132 Cb -0.11 -3.12 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 3kdh s GLU 132 CO 0.02 0.68 -0.20 -0.06 -0.54 0.00 0.00 175.26 175.16 3kdh s PHE 133 N -1.22 2.03 -0.23 5.30 0.08 0.75 -4.96 117.98 119.73 3kdh s PHE 133 Ca 0.24 -0.63 -0.07 0.00 0.12 0.00 0.00 56.93 56.59 3kdh s PHE 133 Cb -0.13 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3kdh s PHE 133 CO 0.13 -0.22 0.06 -1.17 -0.10 0.00 0.00 175.22 173.93 3kdh s LEU 134 N 0.04 3.52 -0.33 -0.37 2.96 -1.26 -1.22 118.68 122.01 3kdh s LEU 134 Ca -0.06 -0.14 -0.26 0.00 -0.22 0.00 0.00 54.13 53.45 3kdh s LEU 134 Cb -0.13 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.64 3kdh s LEU 134 CO 0.03 0.02 0.94 0.20 -1.32 0.00 0.00 176.35 176.23 3kdh s ASN 135 N 1.29 6.77 0.42 3.68 -0.87 0.08 -4.93 114.94 121.37 3kdh s ASN 135 Ca 0.05 0.79 0.17 0.00 -1.57 0.00 0.00 52.86 52.29 3kdh s ASN 135 Cb -0.15 -2.48 0.92 0.00 -0.02 0.00 0.00 41.25 39.53 3kdh s ASN 135 CO 0.03 -0.79 1.90 1.56 -2.57 0.00 0.00 177.10 177.23 3kdh h GLN 136 N 8.22 0.00 -0.02 -0.60 1.08 -1.96 0.24 115.11 122.06 3kdh h GLN 136 Ca -0.22 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 3kdh h GLN 136 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3kdh h GLN 136 CO 0.97 0.28 -0.21 -0.44 -0.95 0.00 0.00 178.83 178.49 3kdh h ASP 137 N 0.00 0.22 0.00 1.46 3.32 -1.97 -3.38 116.42 116.07 3kdh h ASP 137 Ca -0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 57.03 56.28 3kdh h ASP 137 Cb 0.55 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3kdh h ASP 137 CO 0.04 0.90 -1.96 -1.54 -1.72 0.00 0.00 179.24 174.95 3kdh n SER 138 N -4.55 0.46 0.00 6.45 3.41 -1.20 -4.97 113.62 113.22 3kdh n SER 138 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3kdh n SER 138 Cb 0.46 1.75 0.00 0.00 -0.26 0.00 0.00 64.21 66.16 3kdh n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdh n GLY 139 N 1.45 0.87 3.82 5.00 0.00 0.82 -5.03 105.19 112.12 3kdh n GLY 139 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.00 3.32 0.19 1.61 -0.14 -1.25 -4.77 119.74 118.70 3kdh s LYS 140 Ca 0.00 1.08 0.10 0.00 -1.36 0.00 0.00 55.97 55.79 3kdh s LYS 140 Cb 0.00 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 3kdh s LYS 140 CO 0.00 -0.80 -0.15 0.14 -0.76 0.00 0.00 175.35 173.78 3kdh s VAL 141 N -2.66 2.84 0.29 3.17 -7.23 -1.26 -0.74 120.40 114.81 3kdh s VAL 141 Ca 0.61 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.89 3kdh s VAL 141 Cb -0.14 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 3kdh s VAL 141 CO 0.42 -0.12 0.44 -0.72 -0.31 0.00 0.00 175.10 174.81 3kdh s TYR 142 N -1.72 0.81 0.01 2.82 1.13 -0.36 -4.26 117.35 115.79 3kdh s TYR 142 Ca 0.23 -1.10 0.06 0.00 -1.41 0.00 0.00 57.07 54.86 3kdh s TYR 142 Cb -0.08 -0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 3kdh s TYR 142 CO 0.13 -1.04 -0.19 0.99 -2.51 0.00 0.00 175.55 172.93 3kdh s THR 143 N -3.49 1.51 -0.21 -3.49 2.01 0.37 -0.18 115.64 112.17 3kdh s THR 143 Ca 0.28 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 3kdh s THR 143 Cb 0.00 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.23 3kdh s THR 143 CO 0.15 0.31 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.62 3kdh s VAL 144 N -0.60 3.03 -0.18 3.82 1.01 0.66 -0.23 120.40 127.92 3kdh s VAL 144 Ca 0.07 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3kdh s VAL 144 Cb -0.08 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3kdh s VAL 144 CO 0.00 0.44 0.27 -0.69 0.00 0.00 0.00 175.10 175.12 3kdh s VAL 145 N 1.43 5.31 -0.15 2.92 1.01 0.15 -1.54 120.40 129.53 3kdh s VAL 145 Ca 0.05 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3kdh s VAL 145 Cb -0.14 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3kdh s VAL 145 CO -0.06 0.37 -0.08 -0.76 0.00 0.00 0.00 175.10 174.57 3kdh s LEU 146 N 0.64 2.95 -0.11 3.92 1.43 -0.32 -1.29 118.68 125.89 3kdh s LEU 146 Ca 0.15 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3kdh s LEU 146 Cb -0.13 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.43 3kdh s LEU 146 CO 0.04 0.15 -0.03 -0.70 0.23 0.00 0.00 176.35 176.04 3kdh s GLU 147 N 0.45 1.02 0.14 1.70 2.12 -0.10 -0.53 118.70 123.49 3kdh s GLU 147 Ca -0.07 -0.16 0.08 0.00 0.36 0.00 0.00 54.97 55.18 3kdh s GLU 147 Cb -0.15 -1.46 -0.04 0.00 0.26 0.00 0.00 34.13 32.74 3kdh s GLU 147 CO 0.04 -0.35 -0.11 -1.54 -0.54 0.00 0.00 175.26 172.75 3kdh s SER 148 N 1.83 4.26 0.11 -1.70 1.04 -0.15 -0.48 113.70 118.61 3kdh s SER 148 Ca 0.04 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 3kdh s SER 148 Cb -0.13 -0.74 -0.03 0.00 0.10 0.00 0.00 66.02 65.21 3kdh s SER 148 CO -0.07 0.15 0.07 -0.72 0.98 0.00 0.00 173.24 173.66 3kdh s TYR 149 N -1.39 0.69 0.00 5.02 1.13 -0.65 -1.03 117.35 121.12 3kdh s TYR 149 Ca 0.22 -1.10 0.03 0.00 -1.41 0.00 0.00 57.07 54.81 3kdh s TYR 149 Cb -0.10 -0.38 -0.01 0.00 -1.10 0.00 0.00 41.96 40.37 3kdh s TYR 149 CO 0.14 -0.52 -0.09 0.99 -2.51 0.00 0.00 175.55 173.56 3kdh s THR 150 N -4.00 0.68 -0.06 -3.49 2.01 -0.24 -2.78 115.64 107.75 3kdh s THR 150 Ca 0.18 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.49 3kdh s THR 150 Cb 0.07 -0.59 0.04 0.00 0.01 0.00 0.00 72.50 72.03 3kdh s THR 150 CO -0.02 0.10 0.45 0.54 -0.69 0.00 0.00 174.62 175.00 3kdh s VAL 151 N -0.39 0.03 0.34 3.82 0.11 -0.71 -1.29 120.40 122.31 3kdh s VAL 151 Ca 0.01 -0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 58.56 3kdh s VAL 151 Cb -0.04 -0.74 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 3kdh s VAL 151 CO -0.00 -0.13 1.13 -1.81 -3.33 0.00 0.00 175.10 170.96 3kdh s ASP 152 N -0.94 6.90 -0.27 3.54 1.11 -0.39 -0.78 116.67 125.83 3kdh s ASP 152 Ca -0.10 2.28 -0.29 0.00 0.18 0.00 0.00 52.55 54.63 3kdh s ASP 152 Cb -0.03 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.35 3kdh s ASP 152 CO 0.05 -0.40 1.03 -0.63 1.18 0.00 0.00 175.17 176.40 3kdh s ILE 153 N -1.33 4.61 0.63 0.77 1.01 0.26 -4.35 121.20 122.80 3kdh s ILE 153 Ca 0.51 1.84 -0.18 0.00 0.00 0.00 0.00 60.65 62.82 3kdh s ILE 153 Cb -0.30 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 37.80 3kdh s ILE 153 CO 0.39 -0.31 1.27 -2.84 0.00 0.00 0.00 174.94 173.44 3kdh s PRO 154 N 3.38 2.71 0.15 2.79 0.02 -1.26 -4.90 135.00 137.88 3kdh s PRO 154 Ca 0.44 1.99 -0.32 0.00 0.02 0.00 0.00 61.00 63.12 3kdh s PRO 154 Cb -0.14 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 3kdh s PRO 154 CO 0.11 -1.46 1.73 -1.91 -0.33 0.00 0.00 177.00 175.14 3kdh n GLU 155 N -1.78 2.56 0.00 5.54 4.07 -1.26 -1.58 120.64 128.19 3kdh n GLU 155 Ca 0.15 0.93 0.00 0.00 -0.06 0.00 0.00 57.16 58.18 3kdh n GLU 155 Cb 0.49 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.10 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 3.92 1.83 3.93 8.31 0.00 -1.26 -5.06 105.19 116.86 3kdh n GLY 156 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.63 5.60 0.26 1.61 -0.87 -0.61 -5.11 114.94 114.19 3kdh s ASN 157 Ca 0.00 0.57 0.07 0.00 -1.57 0.00 0.00 52.86 51.93 3kdh s ASN 157 Cb 0.00 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.25 39.59 3kdh s ASN 157 CO 0.00 -1.00 0.22 0.42 -2.57 0.00 0.00 177.10 174.17 3kdh s THR 158 N -2.89 4.40 0.10 1.60 -4.23 -1.26 -4.87 115.64 108.50 3kdh s THR 158 Ca 0.53 -1.37 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 3kdh s THR 158 Cb -0.10 -3.41 -0.11 0.00 1.34 0.00 0.00 72.50 70.22 3kdh s THR 158 CO 0.43 -0.33 1.73 -0.08 -0.54 0.00 0.00 174.62 175.83 3kdh h GLU 159 N 1.44 0.14 -0.23 3.99 4.81 -1.95 -2.41 114.58 120.37 3kdh h GLU 159 Ca -0.48 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 3kdh h GLU 159 Cb 1.24 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3kdh h GLU 159 CO 0.60 0.13 -0.44 1.05 -0.73 0.00 0.00 179.01 179.62 3kdh h GLU 160 N 0.11 0.58 0.03 1.92 9.09 -1.98 -0.85 114.58 123.47 3kdh h GLU 160 Ca 0.04 -0.31 -0.21 0.00 0.05 0.00 0.00 59.36 58.92 3kdh h GLU 160 Cb 0.02 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 3kdh h GLU 160 CO -0.01 0.91 -0.97 -0.44 0.05 0.00 0.00 179.01 178.55 3kdh h ASP 161 N 0.47 0.19 -0.43 3.06 3.32 -1.98 -0.46 116.42 120.59 3kdh h ASP 161 Ca 0.03 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3kdh h ASP 161 Cb 0.96 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3kdh h ASP 161 CO 0.09 1.05 0.12 0.74 -1.72 0.00 0.00 179.24 179.51 3kdh h THR 162 N 0.06 1.23 -0.62 0.35 2.02 -1.25 -1.80 112.91 112.89 3kdh h THR 162 Ca -0.05 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 3kdh h THR 162 Cb 1.66 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 3kdh h THR 162 CO 0.14 0.27 0.21 0.50 0.37 0.00 0.00 175.52 177.01 3kdh h LYS 163 N 0.55 0.96 -0.74 6.66 3.64 -1.08 -1.33 116.57 125.22 3kdh h LYS 163 Ca 0.14 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3kdh h LYS 163 Cb 0.30 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3kdh h LYS 163 CO -0.00 0.84 0.47 1.98 -2.27 0.00 0.00 179.45 180.47 3kdh h MET 164 N 0.88 0.99 0.18 1.90 4.05 -0.96 0.89 114.93 122.87 3kdh h MET 164 Ca 0.20 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3kdh h MET 164 Cb 0.27 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 3kdh h MET 164 CO -0.01 0.68 -0.09 0.35 0.23 0.00 0.00 176.91 178.07 3kdh h PHE 165 N 1.01 -0.23 -0.55 1.39 3.57 -0.93 -1.88 116.94 119.33 3kdh h PHE 165 Ca 0.27 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 3kdh h PHE 165 Cb -0.08 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3kdh h PHE 165 CO -0.02 0.02 -0.01 0.28 -2.23 0.00 0.00 178.31 176.36 3kdh h VAL 166 N -0.45 1.26 -0.76 1.41 2.07 -1.19 -2.08 116.25 116.51 3kdh h VAL 166 Ca -0.03 -1.12 0.13 0.00 0.82 0.00 0.00 66.70 66.50 3kdh h VAL 166 Cb 0.35 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 3kdh h VAL 166 CO 0.04 0.40 0.35 0.44 0.02 0.00 0.00 177.57 178.82 3kdh h ASP 167 N 0.86 0.39 -0.27 0.57 5.19 -0.80 0.38 116.42 122.74 3kdh h ASP 167 Ca 0.16 0.09 -0.08 0.00 -0.62 0.00 0.00 57.03 56.57 3kdh h ASP 167 Cb 0.55 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3kdh h ASP 167 CO 0.03 0.18 -0.15 0.74 -3.12 0.00 0.00 179.24 176.92 3kdh h THR 168 N 0.54 1.30 -0.32 0.35 2.02 -0.84 -0.89 112.91 115.07 3kdh h THR 168 Ca 0.40 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 3kdh h THR 168 Cb 0.54 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3kdh h THR 168 CO -0.35 0.40 0.11 0.58 0.37 0.00 0.00 175.52 176.63 3kdh h VAL 169 N 0.31 1.20 -0.23 3.16 2.07 -1.02 -0.77 116.25 120.96 3kdh h VAL 169 Ca 0.06 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3kdh h VAL 169 Cb 0.67 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3kdh h VAL 169 CO 0.04 0.21 0.12 0.58 0.02 0.00 0.00 177.57 178.55 3kdh h VAL 170 N 0.36 1.01 -0.71 2.57 2.07 -0.86 -1.11 116.25 119.58 3kdh h VAL 170 Ca 0.10 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3kdh h VAL 170 Cb 0.23 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3kdh h VAL 170 CO -0.01 0.05 0.47 0.50 0.02 0.00 0.00 177.57 178.60 3kdh h LYS 171 N 0.26 0.93 -0.99 1.57 1.63 -1.05 -1.10 116.57 117.82 3kdh h LYS 171 Ca 0.09 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3kdh h LYS 171 Cb 0.01 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 31.38 3kdh h LYS 171 CO -0.05 0.62 0.65 -0.07 -3.45 0.00 0.00 179.45 177.15 3kdh h LEU 172 N 0.96 1.14 -0.59 5.20 3.38 -0.78 -0.19 115.31 124.44 3kdh h LEU 172 Ca 0.26 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3kdh h LEU 172 Cb -0.10 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 3kdh h LEU 172 CO -0.06 0.83 -0.26 0.78 0.09 0.00 0.00 178.44 179.82 3kdh h ASN 173 N 1.35 0.87 -0.36 -0.43 2.35 -0.69 -2.09 115.58 116.56 3kdh h ASN 173 Ca 0.36 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3kdh h ASN 173 Cb -0.15 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 37.96 3kdh h ASN 173 CO -0.08 1.08 0.13 -0.07 -1.65 0.00 0.00 177.43 176.84 3kdh h LEU 174 N 0.72 0.57 -0.78 1.61 3.38 -0.69 0.66 115.31 120.78 3kdh h LEU 174 Ca 0.09 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3kdh h LEU 174 Cb 0.81 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3kdh h LEU 174 CO 0.07 0.55 0.05 1.56 0.09 0.00 0.00 178.44 180.76 3kdh h GLN 175 N 0.62 0.97 -0.42 1.13 4.20 -0.72 -1.01 115.11 119.87 3kdh h GLN 175 Ca 0.15 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 3kdh h GLN 175 Cb 0.19 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3kdh h GLN 175 CO -0.01 0.92 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.65 3kdh h LYS 176 N 0.90 0.84 -0.73 1.46 3.64 -0.77 -1.48 116.57 120.43 3kdh h LYS 176 Ca 0.17 -0.34 0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3kdh h LYS 176 Cb 0.46 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 3kdh h LYS 176 CO 0.02 0.97 0.42 1.25 -2.27 0.00 0.00 179.45 179.83 3kdh h LEU 177 N 0.73 0.61 -0.40 5.20 5.85 -0.59 -0.68 115.31 126.03 3kdh h LEU 177 Ca 0.10 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3kdh h LEU 177 Cb 0.74 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3kdh h LEU 177 CO 0.06 0.38 0.23 1.23 -0.34 0.00 0.00 178.44 180.00 3kdh h GLY 178 N 0.75 0.55 0.98 3.75 0.00 -0.60 -0.40 103.07 108.11 3kdh h GLY 178 Ca 0.33 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3kdh h GLY 178 CO -0.20 0.15 0.23 -2.08 0.00 0.00 0.00 176.54 174.63 3kdh h VAL 179 N 0.46 1.22 -0.42 4.60 2.07 -0.66 -0.88 116.25 122.64 3kdh h VAL 179 Ca 0.16 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3kdh h VAL 179 Cb 0.02 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3kdh h VAL 179 CO -0.08 0.26 0.18 0.00 0.02 0.00 0.00 177.57 177.94 3kdh h ALA 180 N 1.07 0.55 0.00 1.67 0.00 -0.86 -0.63 119.26 121.06 3kdh h ALA 180 Ca 0.18 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3kdh h ALA 180 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kdh h ALA 180 CO -0.02 0.14 -0.47 0.00 0.00 0.00 0.00 179.25 178.90 3kdh h ALA 181 N 1.02 1.19 0.00 0.00 0.00 -0.89 -0.33 119.26 120.26 3kdh h ALA 181 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kdh h ALA 181 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kdh h ALA 181 CO -0.01 0.59 -0.76 0.25 0.00 0.00 0.00 179.25 179.32 3kdh n THR 182 N -3.93 0.11 -0.07 0.00 -2.24 -0.35 -4.70 114.28 103.09 3kdh n THR 182 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3kdh n THR 182 Cb 0.50 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3kdh n THR 182 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kdh n SER 183 N -1.74 0.00 -4.92 3.42 3.41 -0.27 -5.07 113.62 108.45 3kdh n SER 183 Ca 0.04 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.38 3kdh n SER 183 Cb 0.38 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 3.78 0.58 7.33 0.00 -0.14 -5.03 121.76 128.27 3kdh s ALA 184 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 3kdh s ALA 184 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3kdh s ALA 184 CO 0.00 0.34 1.28 -2.14 0.00 0.00 0.00 175.76 175.25 3kdh s PRO 185 N -3.48 2.98 0.66 0.00 0.02 -1.26 -4.82 135.00 129.10 3kdh s PRO 185 Ca 0.40 2.04 -0.15 0.00 0.02 0.00 0.00 61.00 63.31 3kdh s PRO 185 Cb -0.11 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3kdh s PRO 185 CO 0.30 -1.26 1.11 -1.64 -0.33 0.00 0.00 177.00 175.18 3kdh s MET 186 N -3.13 2.78 0.27 5.54 -1.94 -1.26 -4.96 119.30 116.60 3kdh s MET 186 Ca 0.76 1.38 -0.30 0.00 -1.71 0.00 0.00 55.69 55.82 3kdh s MET 186 Cb -0.36 -1.95 -0.11 0.00 2.01 0.00 0.00 34.83 34.42 3kdh s MET 186 CO 0.40 -1.27 1.55 -1.58 -0.01 0.00 0.00 175.02 174.12 3kdh s HIS 187 N -2.36 2.84 0.59 -0.03 2.46 -1.26 -4.84 115.29 112.69 3kdh s HIS 187 Ca 0.67 0.84 0.30 0.00 0.47 0.00 0.00 55.06 57.34 3kdh s HIS 187 Cb -0.20 -3.99 1.36 0.00 -0.13 0.00 0.00 32.58 29.61 3kdh s HIS 187 CO 0.42 -3.33 1.71 -0.44 -2.47 0.00 0.00 174.74 170.63 3kdh h ASP 188 N 5.00 0.00 -0.02 9.88 3.32 -2.05 -3.54 116.42 129.02 3kdh h ASP 188 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3kdh h ASP 188 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3kdh h ASP 188 CO 0.80 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.65