#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dug s PRO 2 N 0.00 2.35 -0.13 1.43 0.02 -1.26 -4.75 135.00 132.67 1dug s PRO 2 Ca 0.00 1.86 0.02 0.00 0.02 0.00 0.00 61.00 62.90 1dug s PRO 2 Cb 0.00 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.67 1dug s PRO 2 CO 0.00 -1.70 -0.18 0.42 -0.33 0.00 0.00 177.00 175.21 1dug s ILE 3 N -1.75 2.51 -0.28 2.83 1.01 0.11 -0.99 121.20 124.64 1dug s ILE 3 Ca 0.77 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1dug s ILE 3 Cb -0.32 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.17 1dug s ILE 3 CO 0.42 0.54 -0.03 -0.22 0.00 0.00 0.00 174.94 175.65 1dug s LEU 4 N 0.50 3.56 -0.16 2.97 2.96 0.12 -0.95 118.68 127.67 1dug s LEU 4 Ca -0.12 -1.06 -0.06 0.00 -0.22 0.00 0.00 54.13 52.67 1dug s LEU 4 Cb -0.17 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1dug s LEU 4 CO 0.05 -0.19 0.02 -0.83 -1.32 0.00 0.00 176.35 174.07 1dug s GLY 5 N 1.30 1.83 0.09 7.98 0.00 0.07 -1.50 107.32 117.09 1dug s GLY 5 Ca -0.02 -0.77 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 1dug s GLY 5 CO -0.03 -0.05 1.06 -0.47 0.00 0.00 0.00 173.10 173.61 1dug s TYR 6 N 0.25 -0.12 0.83 1.90 5.04 -0.87 -1.74 117.35 122.64 1dug s TYR 6 Ca 0.01 -0.11 -0.12 0.00 -2.44 0.00 0.00 57.07 54.41 1dug s TYR 6 Cb -0.13 0.60 0.09 0.00 0.35 0.00 0.00 41.96 42.88 1dug s TYR 6 CO 0.01 -0.64 1.15 -1.58 -1.34 0.00 0.00 175.55 173.16 1dug s TRP 7 N -3.01 1.95 -1.46 4.97 0.52 -1.26 -1.35 118.94 119.30 1dug s TRP 7 Ca 0.12 1.69 -0.11 0.00 0.02 0.00 0.00 56.10 57.83 1dug s TRP 7 Cb 0.00 -3.32 0.04 0.00 -1.15 0.00 0.00 33.47 29.04 1dug s TRP 7 CO -0.00 -2.53 2.40 1.17 0.02 0.00 0.00 176.95 178.01 1dug n LYS 8 N -3.62 3.51 -4.11 4.98 4.81 0.41 -4.62 118.16 119.52 1dug n LYS 8 Ca 0.12 -2.79 -0.12 0.00 -0.87 0.00 0.00 58.31 54.65 1dug n LYS 8 Cb 0.52 -2.98 -0.07 0.00 0.02 0.00 0.00 35.03 32.52 1dug n LYS 8 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1dug s ILE 9 N 1.70 0.00 -0.00 3.15 -4.36 -1.26 -4.56 121.20 115.87 1dug s ILE 9 Ca 0.53 -1.70 -0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1dug s ILE 9 Cb 0.15 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 1dug s ILE 9 CO -0.06 0.00 0.34 0.11 0.24 0.00 0.00 174.94 175.57 1dug h LYS 10 N 2.37 -0.04 0.00 0.37 1.57 -1.42 -3.45 116.57 115.97 1dug h LYS 10 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1dug h LYS 10 Cb 1.25 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1dug h LYS 10 CO 0.43 -0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 1dug n GLY 11 N 0.99 1.53 0.28 3.86 0.00 -0.04 -2.18 105.19 109.63 1dug n GLY 11 Ca -0.01 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.84 1dug n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dug h LEU 12 N 0.00 0.00 -0.27 0.99 3.38 -1.91 -3.27 115.31 114.23 1dug h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dug h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dug h LEU 12 CO 0.00 0.08 -0.85 0.55 0.09 0.00 0.00 178.44 178.31 1dug n VAL 13 N -3.44 0.00 -0.19 1.22 3.14 -1.10 -4.57 118.33 113.39 1dug n VAL 13 Ca -0.02 -0.07 -0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1dug n VAL 13 Cb 0.23 1.05 0.10 0.00 -1.06 0.00 0.00 33.84 34.16 1dug n VAL 13 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1dug h GLN 14 N 0.65 0.31 -0.76 1.45 5.75 -1.49 -0.62 115.11 120.40 1dug h GLN 14 Ca 0.00 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1dug h GLN 14 Cb 0.57 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 1dug h GLN 14 CO 0.00 0.20 0.50 -1.35 -2.65 0.00 0.00 178.83 175.53 1dug h PRO 15 N 0.32 0.76 -0.53 -2.39 0.11 -1.82 -0.93 132.00 127.51 1dug h PRO 15 Ca 0.30 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.29 1dug h PRO 15 Cb 0.41 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1dug h PRO 15 CO -0.35 0.50 0.03 1.15 -0.21 0.00 0.00 178.00 179.12 1dug h THR 16 N 0.78 1.26 -0.58 -1.15 2.02 -1.44 -0.88 112.91 112.92 1dug h THR 16 Ca 0.33 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1dug h THR 16 Cb 0.28 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1dug h THR 16 CO -0.11 0.38 0.36 0.03 0.37 0.00 0.00 175.52 176.54 1dug h ARG 17 N 0.80 0.78 -0.90 6.66 3.08 -0.37 -1.36 114.38 123.08 1dug h ARG 17 Ca 0.15 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1dug h ARG 17 Cb 0.49 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1dug h ARG 17 CO 0.02 0.55 0.48 -0.07 -1.07 0.00 0.00 179.97 179.88 1dug h LEU 18 N 0.78 1.13 -0.20 3.04 3.38 -0.89 -1.85 115.31 120.69 1dug h LEU 18 Ca 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1dug h LEU 18 Cb -0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1dug h LEU 18 CO -0.04 0.91 0.06 0.25 0.09 0.00 0.00 178.44 179.71 1dug h LEU 19 N 1.26 0.30 -0.69 1.67 5.85 -0.68 -0.82 115.31 122.20 1dug h LEU 19 Ca 0.31 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1dug h LEU 19 Cb 0.04 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1dug h LEU 19 CO -0.05 0.44 0.43 -0.07 -0.34 0.00 0.00 178.44 178.85 1dug h LEU 20 N 0.15 0.72 -0.66 2.25 3.38 -1.07 -0.96 115.31 119.13 1dug h LEU 20 Ca 0.07 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1dug h LEU 20 Cb 0.25 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1dug h LEU 20 CO -0.00 0.50 0.20 -0.33 0.09 0.00 0.00 178.44 178.90 1dug h GLU 21 N 0.85 1.03 -0.67 1.13 4.39 -1.17 0.65 114.58 120.79 1dug h GLU 21 Ca 0.27 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.77 1dug h GLU 21 Cb 0.00 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1dug h GLU 21 CO -0.10 0.90 0.42 -0.92 -1.16 0.00 0.00 179.01 178.15 1dug h TYR 22 N 0.96 0.79 0.00 4.33 3.20 -0.54 -1.84 116.97 123.87 1dug h TYR 22 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1dug h TYR 22 Cb 0.31 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1dug h TYR 22 CO 0.02 0.45 0.00 -0.07 -1.64 0.00 0.00 178.16 176.93 1dug h LEU 23 N 0.83 0.00 1.87 2.82 3.38 -0.77 -3.47 115.31 119.96 1dug h LEU 23 Ca 0.27 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.93 1dug h LEU 23 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1dug h LEU 23 CO -0.10 0.00 -0.37 -0.62 0.09 0.00 0.00 178.44 177.44 1dug n GLU 24 N -2.34 -1.19 -2.59 1.13 1.02 0.15 -4.96 120.64 111.86 1dug n GLU 24 Ca 0.04 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.57 1dug n GLU 24 Cb 0.38 -5.11 -0.03 0.00 -0.02 0.00 0.00 31.44 26.66 1dug n GLU 24 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1dug s GLU 25 N -4.45 4.50 0.14 3.49 2.12 -0.78 -4.99 118.70 118.73 1dug s GLU 25 Ca 0.00 1.56 -0.30 0.00 0.36 0.00 0.00 54.97 56.59 1dug s GLU 25 Cb 0.00 -3.42 -0.07 0.00 0.26 0.00 0.00 34.13 30.89 1dug s GLU 25 CO 0.00 -0.15 1.25 0.15 -0.54 0.00 0.00 175.26 175.96 1dug s LYS 26 N 1.10 4.43 0.10 4.30 1.02 -1.26 -4.76 119.74 124.67 1dug s LYS 26 Ca 0.55 1.91 -0.18 0.00 0.02 0.00 0.00 55.97 58.26 1dug s LYS 26 Cb -0.24 -3.27 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1dug s LYS 26 CO 0.28 -0.22 0.44 1.52 -0.92 0.00 0.00 175.35 176.45 1dug s TYR 27 N 0.49 -0.28 0.09 3.18 1.13 -1.26 -4.23 117.35 116.47 1dug s TYR 27 Ca 0.57 0.08 0.09 0.00 -1.41 0.00 0.00 57.07 56.40 1dug s TYR 27 Cb -0.33 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1dug s TYR 27 CO 0.34 -0.68 -0.19 -2.00 -2.51 0.00 0.00 175.55 170.51 1dug s GLU 28 N -3.33 1.85 0.03 -3.49 2.12 -0.16 -4.98 118.70 110.73 1dug s GLU 28 Ca -0.00 -1.13 0.06 0.00 0.36 0.00 0.00 54.97 54.26 1dug s GLU 28 Cb 0.01 -2.12 -0.03 0.00 0.26 0.00 0.00 34.13 32.24 1dug s GLU 28 CO -0.09 0.50 -0.16 -1.21 -0.54 0.00 0.00 175.26 173.76 1dug s GLU 29 N -1.91 2.19 -0.43 4.30 2.02 -1.26 -0.70 118.70 122.89 1dug s GLU 29 Ca 0.17 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 1dug s GLU 29 Cb -0.10 -2.25 0.12 0.00 0.10 0.00 0.00 34.13 31.99 1dug s GLU 29 CO 0.08 0.56 0.22 -1.58 0.02 0.00 0.00 175.26 174.56 1dug s HIS 30 N -0.92 3.57 -0.21 1.61 5.65 -0.56 -4.91 115.29 119.53 1dug s HIS 30 Ca 0.15 -2.59 -0.16 0.00 0.25 0.00 0.00 55.06 52.71 1dug s HIS 30 Cb -0.11 -3.16 -0.04 0.00 -1.18 0.00 0.00 32.58 28.10 1dug s HIS 30 CO 0.05 -0.94 0.41 -0.51 -0.65 0.00 0.00 174.74 173.10 1dug s LEU 31 N 0.87 4.15 -0.27 8.88 1.43 -1.26 -2.04 118.68 130.43 1dug s LEU 31 Ca 0.10 0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.58 1dug s LEU 31 Cb -0.22 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1dug s LEU 31 CO -0.05 -0.09 0.34 -0.31 0.23 0.00 0.00 176.35 176.47 1dug s TYR 32 N 1.39 3.24 0.94 0.29 2.02 -0.46 -4.83 117.35 119.94 1dug s TYR 32 Ca 0.19 0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 57.12 1dug s TYR 32 Cb -0.15 -2.54 0.15 0.00 -0.40 0.00 0.00 41.96 39.03 1dug s TYR 32 CO 0.08 -0.22 1.11 -1.21 -1.57 0.00 0.00 175.55 173.75 1dug s GLU 33 N 2.01 0.90 0.33 -0.62 0.41 -1.26 -0.45 118.70 120.02 1dug s GLU 33 Ca 0.13 0.43 0.11 0.00 -0.41 0.00 0.00 54.97 55.24 1dug s GLU 33 Cb -0.16 -1.80 0.99 0.00 -1.78 0.00 0.00 34.13 31.38 1dug s GLU 33 CO 0.10 -2.39 1.67 0.07 -0.49 0.00 0.00 175.26 174.22 1dug h ARG 34 N -1.64 0.32 -0.62 1.61 0.11 -1.97 -0.66 114.38 111.53 1dug h ARG 34 Ca -0.52 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.54 1dug h ARG 34 Cb 1.32 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1dug h ARG 34 CO 0.60 0.21 0.00 -0.40 0.10 0.00 0.00 179.97 180.48 1dug n ASP 35 N -5.07 4.49 -1.92 0.08 3.85 -1.26 -4.53 116.55 112.20 1dug n ASP 35 Ca 0.29 -2.39 -0.18 0.00 -0.71 0.00 0.00 54.79 51.80 1dug n ASP 35 Cb 0.90 -0.54 0.19 0.00 -1.35 0.00 0.00 41.12 40.31 1dug n ASP 35 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1dug n GLU 36 N 1.06 2.14 -0.22 0.11 1.02 -0.25 -4.60 120.64 119.90 1dug n GLU 36 Ca 0.24 -3.07 -0.01 0.00 -0.02 0.00 0.00 57.16 54.31 1dug n GLU 36 Cb 0.83 -2.07 0.21 0.00 -0.02 0.00 0.00 31.44 30.38 1dug n GLU 36 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1dug h GLY 37 N 1.02 1.08 2.00 0.62 0.00 -1.80 -2.05 103.07 103.94 1dug h GLY 37 Ca 0.51 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1dug h GLY 37 CO 0.90 0.43 -0.28 -0.55 0.00 0.00 0.00 176.54 177.04 1dug h ASP 38 N 1.03 0.00 -0.44 0.19 3.32 -1.98 -1.51 116.42 117.03 1dug h ASP 38 Ca 0.27 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1dug h ASP 38 Cb -0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1dug h ASP 38 CO -0.05 0.28 0.04 0.11 -1.72 0.00 0.00 179.24 177.90 1dug h LYS 39 N 0.00 0.75 0.16 3.56 1.57 -1.72 -0.51 116.57 120.39 1dug h LYS 39 Ca -0.00 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1dug h LYS 39 Cb 1.12 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1dug h LYS 39 CO 0.04 0.80 -0.08 2.35 -0.57 0.00 0.00 179.45 181.99 1dug h TRP 40 N 0.61 -0.20 -0.28 -1.35 -0.00 -1.30 -2.87 115.95 110.54 1dug h TRP 40 Ca 0.13 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 59.06 1dug h TRP 40 Cb 0.43 0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 29.64 1dug h TRP 40 CO 0.03 -0.01 0.19 0.00 -0.00 0.00 0.00 178.44 178.66 1dug h ARG 41 N -0.36 0.19 0.00 2.65 3.08 -1.15 0.49 114.38 119.27 1dug h ARG 41 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1dug h ARG 41 Cb 0.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1dug h ARG 41 CO 0.04 0.12 0.00 -0.91 -1.07 0.00 0.00 179.97 178.15 1dug h ASN 42 N 0.19 0.00 0.00 7.04 2.35 -0.93 -3.28 115.58 120.95 1dug h ASN 42 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1dug h ASN 42 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1dug h ASN 42 CO -0.02 0.00 -1.51 0.29 -1.65 0.00 0.00 177.43 174.54 1dug n LYS 43 N -2.85 0.60 -0.29 0.81 5.02 -0.41 -4.73 118.16 116.30 1dug n LYS 43 Ca 0.03 -0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1dug n LYS 43 Cb 0.42 -1.29 0.10 0.00 -0.02 0.00 0.00 35.03 34.24 1dug n LYS 43 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1dug n LYS 44 N -1.90 -0.09 -0.87 1.97 4.81 0.16 0.15 118.16 122.38 1dug n LYS 44 Ca -0.02 1.25 0.06 0.00 -0.87 0.00 0.00 58.31 58.73 1dug n LYS 44 Cb 0.33 -1.87 0.38 0.00 0.02 0.00 0.00 35.03 33.89 1dug n LYS 44 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1dug n PHE 45 N -5.29 2.03 -0.60 5.64 3.72 -1.26 -4.25 117.46 117.45 1dug n PHE 45 Ca 0.12 -0.73 0.04 0.00 -0.05 0.00 0.00 57.45 56.83 1dug n PHE 45 Cb 0.39 -0.51 0.05 0.00 -0.94 0.00 0.00 39.48 38.47 1dug n PHE 45 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1dug n GLU 46 N 0.54 1.93 0.00 -1.08 -0.58 0.12 -4.69 120.64 116.89 1dug n GLU 46 Ca 0.28 -1.79 0.08 0.00 -0.42 0.00 0.00 57.16 55.31 1dug n GLU 46 Cb 1.17 -1.11 0.06 0.00 -0.57 0.00 0.00 31.44 30.99 1dug n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1dug n LEU 47 N -0.78 2.31 0.00 -4.62 4.77 -1.21 -4.97 117.00 112.50 1dug n LEU 47 Ca 0.06 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1dug n LEU 47 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1dug n LEU 47 CO 0.00 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1dug n GLY 48 N 0.95 0.65 3.73 -0.72 0.00 -1.26 -5.03 105.19 103.51 1dug n GLY 48 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1dug n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dug s LEU 49 N 0.00 4.42 0.26 0.99 1.43 -1.26 -4.94 118.68 119.58 1dug s LEU 49 Ca 0.00 2.09 0.11 0.00 -1.03 0.00 0.00 54.13 55.30 1dug s LEU 49 Cb 0.00 -3.59 0.29 0.00 0.03 0.00 0.00 46.19 42.92 1dug s LEU 49 CO 0.00 -0.38 1.56 -0.33 0.23 0.00 0.00 176.35 177.44 1dug h GLU 50 N 5.94 0.00 -2.27 1.70 5.08 -1.96 -3.34 114.58 119.73 1dug h GLU 50 Ca -0.43 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.35 1dug h GLU 50 Cb 1.21 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.07 1dug h GLU 50 CO 0.77 0.65 -0.92 1.19 -1.00 0.00 0.00 179.01 179.69 1dug n PHE 51 N -3.66 0.52 -1.64 4.33 3.72 -1.26 -5.11 117.46 114.36 1dug n PHE 51 Ca -0.01 -3.66 -0.55 0.00 -0.05 0.00 0.00 57.45 53.18 1dug n PHE 51 Cb 0.66 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.92 1dug n PHE 51 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1dug n PRO 52 N 1.84 1.07 -3.86 -1.08 -0.02 -1.26 -4.72 135.00 126.97 1dug n PRO 52 Ca 0.25 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 62.12 1dug n PRO 52 Cb 0.47 -2.04 0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1dug n PRO 52 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1dug s ASN 53 N 1.82 -0.02 -0.08 2.55 3.84 -1.26 -5.09 114.94 116.70 1dug s ASN 53 Ca 0.91 -0.32 0.04 0.00 0.21 0.00 0.00 52.86 53.70 1dug s ASN 53 Cb -1.03 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 39.93 1dug s ASN 53 CO 0.56 -0.51 -0.19 -0.76 -2.79 0.00 0.00 177.10 173.40 1dug s LEU 54 N -3.45 1.92 0.72 3.21 1.43 -1.26 -4.02 118.68 117.22 1dug s LEU 54 Ca 0.23 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1dug s LEU 54 Cb 0.00 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1dug s LEU 54 CO 0.00 0.13 1.08 -2.16 0.23 0.00 0.00 176.35 175.63 1dug s PRO 55 N 0.36 2.75 0.06 1.29 0.04 -1.26 -4.89 135.00 133.36 1dug s PRO 55 Ca -0.14 0.65 0.04 0.00 0.04 0.00 0.00 61.00 61.59 1dug s PRO 55 Cb -0.16 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1dug s PRO 55 CO 0.06 -1.15 -0.12 1.52 0.04 0.00 0.00 177.00 177.35 1dug s TYR 56 N -3.21 1.02 -0.06 0.56 -0.85 -0.71 -3.68 117.35 110.42 1dug s TYR 56 Ca 0.58 -0.48 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 1dug s TYR 56 Cb -0.13 -0.58 0.02 0.00 0.38 0.00 0.00 41.96 41.66 1dug s TYR 56 CO 0.53 0.01 -0.05 -0.47 -1.52 0.00 0.00 175.55 174.05 1dug s TYR 57 N -1.35 0.91 -0.09 -3.49 6.14 0.17 -0.75 117.35 118.90 1dug s TYR 57 Ca -0.05 -0.30 -0.00 0.00 0.64 0.00 0.00 57.07 57.36 1dug s TYR 57 Cb -0.10 -0.80 0.02 0.00 0.42 0.00 0.00 41.96 41.50 1dug s TYR 57 CO 0.02 -0.26 -0.05 0.42 0.64 0.00 0.00 175.55 176.32 1dug s ILE 58 N 1.12 0.74 0.00 3.14 1.01 -0.12 -0.32 121.20 126.77 1dug s ILE 58 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1dug s ILE 58 Cb -0.14 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1dug s ILE 58 CO -0.01 0.31 0.00 -0.90 0.00 0.00 0.00 174.94 174.34 1dug n ASP 59 N 4.87 0.64 0.13 3.58 5.68 -0.58 0.08 116.55 130.95 1dug n ASP 59 Ca -0.12 -0.83 0.11 0.00 -0.50 0.00 0.00 54.79 53.45 1dug n ASP 59 Cb 0.50 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.97 1dug n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dug n GLY 60 N 1.60 -1.19 0.02 6.12 0.00 -1.26 -3.59 105.19 106.89 1dug n GLY 60 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1dug n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dug n ASP 61 N -2.19 3.27 -3.87 1.61 9.92 -1.26 -5.09 116.55 118.94 1dug n ASP 61 Ca 0.02 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.19 1dug n ASP 61 Cb 0.19 0.95 -0.07 0.00 -0.64 0.00 0.00 41.12 41.55 1dug n ASP 61 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1dug s VAL 62 N -2.31 0.13 -0.25 2.53 -7.23 -1.24 -5.11 120.40 106.92 1dug s VAL 62 Ca -0.03 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1dug s VAL 62 Cb 0.03 -1.43 0.07 0.00 0.56 0.00 0.00 36.38 35.61 1dug s VAL 62 CO 0.30 -0.58 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.96 1dug s LYS 63 N -3.88 1.32 0.19 4.82 1.02 -1.26 -1.52 119.74 120.42 1dug s LYS 63 Ca 0.07 -0.97 0.09 0.00 0.02 0.00 0.00 55.97 55.19 1dug s LYS 63 Cb 0.05 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1dug s LYS 63 CO -0.09 -0.68 -0.19 -0.51 -0.92 0.00 0.00 175.35 172.95 1dug s LEU 64 N 1.47 2.46 0.28 3.17 1.43 0.56 -4.75 118.68 123.30 1dug s LEU 64 Ca -0.02 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1dug s LEU 64 Cb -0.18 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 1dug s LEU 64 CO -0.09 -0.01 0.11 0.42 0.23 0.00 0.00 176.35 177.01 1dug s THR 65 N -2.11 0.55 0.00 5.49 -4.23 -1.26 -0.65 115.64 113.43 1dug s THR 65 Ca 0.19 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1dug s THR 65 Cb -0.06 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1dug s THR 65 CO 0.08 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.16 1dug n GLN 66 N -0.52 0.00 -0.32 3.99 1.13 -1.24 -4.55 117.38 115.87 1dug n GLN 66 Ca -0.00 0.38 0.20 0.00 -1.94 0.00 0.00 57.00 55.64 1dug n GLN 66 Cb 0.66 -0.50 0.46 0.00 0.11 0.00 0.00 30.24 30.96 1dug n GLN 66 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1dug h SER 67 N 0.00 0.53 0.53 1.08 4.64 -1.90 -0.97 113.55 117.45 1dug h SER 67 Ca 0.00 0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 1dug h SER 67 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1dug h SER 67 CO 0.00 0.13 -0.82 0.24 -0.87 0.00 0.00 176.83 175.51 1dug h MET 68 N 0.48 0.21 -0.61 4.77 2.86 -1.92 -1.75 114.93 118.97 1dug h MET 68 Ca 0.59 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.95 1dug h MET 68 Cb 1.33 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 1dug h MET 68 CO -0.32 0.92 0.11 0.00 1.06 0.00 0.00 176.91 178.67 1dug h ALA 69 N 1.01 0.80 0.28 6.32 0.00 -1.48 -1.50 119.26 124.70 1dug h ALA 69 Ca -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1dug h ALA 69 Cb 1.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dug h ALA 69 CO 0.13 0.55 -0.14 0.82 0.00 0.00 0.00 179.25 180.61 1dug h ILE 70 N 0.90 0.76 -0.52 0.00 2.04 -1.22 0.06 117.51 119.53 1dug h ILE 70 Ca 0.19 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1dug h ILE 70 Cb 0.41 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1dug h ILE 70 CO 0.01 0.09 0.17 -0.29 0.00 0.00 0.00 178.15 178.13 1dug h ILE 71 N -0.60 1.20 -0.58 -0.67 2.10 -1.32 -1.76 117.51 115.90 1dug h ILE 71 Ca -0.04 -0.68 -0.10 0.00 1.08 0.00 0.00 64.86 65.11 1dug h ILE 71 Cb 0.43 0.62 -0.02 0.00 -1.09 0.00 0.00 36.82 36.76 1dug h ILE 71 CO 0.06 0.26 -0.04 0.03 -1.08 0.00 0.00 178.15 177.39 1dug h ARG 72 N 0.75 1.04 0.08 2.19 3.08 -1.19 -1.30 114.38 119.04 1dug h ARG 72 Ca 0.18 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1dug h ARG 72 Cb 0.21 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1dug h ARG 72 CO -0.01 1.04 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.98 1dug h TYR 73 N 0.94 -0.10 -0.65 3.04 3.20 -0.40 0.56 116.97 123.58 1dug h TYR 73 Ca 0.16 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1dug h TYR 73 Cb 0.60 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1dug h TYR 73 CO 0.04 -0.05 0.41 0.82 -1.64 0.00 0.00 178.16 177.73 1dug h ILE 74 N -0.11 1.10 -0.56 1.81 2.04 -1.22 -0.92 117.51 119.65 1dug h ILE 74 Ca -0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 1dug h ILE 74 Cb 0.08 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1dug h ILE 74 CO 0.02 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.36 1dug h ALA 75 N 1.27 0.75 -0.30 1.87 0.00 -0.88 -2.92 119.26 119.04 1dug h ALA 75 Ca 0.25 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dug h ALA 75 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1dug h ALA 75 CO -0.09 0.53 0.17 0.22 0.00 0.00 0.00 179.25 180.08 1dug h ASP 76 N 0.84 0.27 0.48 0.00 1.82 0.66 -0.51 116.42 119.97 1dug h ASP 76 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1dug h ASP 76 Cb 0.48 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.43 1dug h ASP 76 CO 0.02 0.20 0.00 0.29 -1.61 0.00 0.00 179.24 178.14 1dug n LYS 77 N -4.93 0.16 -0.53 0.28 5.02 -0.40 -1.88 118.16 115.89 1dug n LYS 77 Ca -0.01 0.48 0.08 0.00 -2.02 0.00 0.00 58.31 56.83 1dug n LYS 77 Cb 0.05 -1.86 0.28 0.00 -0.02 0.00 0.00 35.03 33.48 1dug n LYS 77 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1dug n HIS 78 N -2.17 1.13 -3.26 2.13 8.25 -0.51 -4.97 115.22 115.81 1dug n HIS 78 Ca 0.01 -0.89 -0.24 0.00 -0.26 0.00 0.00 57.72 56.34 1dug n HIS 78 Cb 0.16 -0.36 0.04 0.00 1.12 0.00 0.00 29.99 30.95 1dug n HIS 78 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1dug n ASN 79 N -0.39 -5.71 -0.56 0.41 3.02 -0.79 -4.92 115.26 106.33 1dug n ASN 79 Ca 0.23 -0.39 0.07 0.00 -0.03 0.00 0.00 54.58 54.46 1dug n ASN 79 Cb 0.95 -4.59 0.06 0.00 -0.61 0.00 0.00 39.78 35.58 1dug n ASN 79 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1dug n MET 80 N -4.24 1.07 0.21 3.52 2.81 -0.32 -4.66 117.12 115.51 1dug n MET 80 Ca -0.06 -1.32 0.11 0.00 -1.81 0.00 0.00 57.70 54.61 1dug n MET 80 Cb 0.59 -1.27 0.21 0.00 -0.71 0.00 0.00 33.22 32.04 1dug n MET 80 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dug h LEU 81 N 2.76 0.00 0.00 4.03 3.38 -1.87 -3.43 115.31 120.18 1dug h LEU 81 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dug h LEU 81 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1dug h LEU 81 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1dug n GLY 82 N 0.96 4.01 0.07 0.83 0.00 -1.26 -4.17 105.19 105.62 1dug n GLY 82 Ca 0.03 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.79 1dug n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dug n GLY 83 N -0.91 -1.47 3.46 -0.02 0.00 -1.26 -4.74 105.19 100.26 1dug n GLY 83 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1dug n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dug h PRO 85 N 2.38 0.71 -0.25 0.00 0.11 -1.98 0.50 132.00 133.46 1dug h PRO 85 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1dug h PRO 85 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1dug h PRO 85 CO 0.41 0.47 0.16 -0.22 -0.21 0.00 0.00 178.00 178.62 1dug h LYS 86 N 0.73 0.34 -0.28 1.05 3.64 -1.99 0.21 116.57 120.27 1dug h LYS 86 Ca 0.46 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.66 1dug h LYS 86 Cb 0.58 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1dug h LYS 86 CO -0.32 0.24 -0.47 1.49 -2.27 0.00 0.00 179.45 178.12 1dug h GLU 87 N 0.33 0.74 -0.13 1.90 4.81 -1.82 -1.79 114.58 118.62 1dug h GLU 87 Ca 0.09 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1dug h GLU 87 Cb -0.02 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1dug h GLU 87 CO -0.02 1.05 -0.20 0.00 -0.73 0.00 0.00 179.01 179.11 1dug h ARG 88 N 0.59 0.21 -0.29 1.92 3.08 -0.67 -1.86 114.38 117.36 1dug h ARG 88 Ca 0.03 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1dug h ARG 88 Cb 1.03 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1dug h ARG 88 CO 0.10 0.41 -0.53 0.00 -1.07 0.00 0.00 179.97 178.87 1dug h ALA 89 N 1.60 0.50 -0.52 0.04 0.00 -0.72 -1.68 119.26 118.50 1dug h ALA 89 Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1dug h ALA 89 Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1dug h ALA 89 CO 0.03 0.68 0.30 0.93 0.00 0.00 0.00 179.25 181.19 1dug h GLU 90 N 0.65 0.57 -0.67 0.00 4.39 -0.87 0.21 114.58 118.87 1dug h GLU 90 Ca 0.02 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1dug h GLU 90 Cb 1.14 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 1dug h GLU 90 CO 0.12 0.37 0.18 0.82 -1.16 0.00 0.00 179.01 179.34 1dug h ILE 91 N 0.58 1.26 0.00 3.13 2.04 -1.22 -0.81 117.51 122.49 1dug h ILE 91 Ca 0.22 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1dug h ILE 91 Cb 0.06 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1dug h ILE 91 CO -0.11 0.35 -0.39 0.28 0.00 0.00 0.00 178.15 178.27 1dug h SER 92 N 0.98 0.00 -0.09 1.72 0.02 -0.83 -0.00 113.55 115.35 1dug h SER 92 Ca 0.21 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 1dug h SER 92 Cb 0.34 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1dug h SER 92 CO -0.00 0.39 -0.41 -0.03 -1.14 0.00 0.00 176.83 175.64 1dug h MET 93 N 0.00 0.44 -0.50 3.45 1.85 -0.13 -0.72 114.93 119.32 1dug h MET 93 Ca -0.00 -0.35 0.04 0.00 -0.61 0.00 0.00 59.70 58.77 1dug h MET 93 Cb 0.84 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.90 1dug h MET 93 CO 0.05 0.99 0.27 -0.07 -0.40 0.00 0.00 176.91 177.74 1dug h LEU 94 N -0.00 0.39 -0.31 3.39 3.38 -0.97 -0.24 115.31 120.94 1dug h LEU 94 Ca -0.03 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1dug h LEU 94 Cb 1.06 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1dug h LEU 94 CO 0.09 0.27 0.06 -0.08 0.09 0.00 0.00 178.44 178.87 1dug h GLU 95 N 0.52 0.17 -0.45 1.13 4.81 -0.92 -1.32 114.58 118.52 1dug h GLU 95 Ca 0.22 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1dug h GLU 95 Cb 0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1dug h GLU 95 CO -0.14 0.11 -0.13 0.78 -0.73 0.00 0.00 179.01 178.90 1dug h GLY 96 N 0.18 0.90 1.56 1.92 0.00 -0.56 -2.15 103.07 104.92 1dug h GLY 96 Ca 0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1dug h GLY 96 CO -0.19 0.65 -0.11 0.00 0.00 0.00 0.00 176.54 176.89 1dug h ALA 97 N 1.10 1.22 -0.43 3.60 0.00 -0.69 -1.90 119.26 122.17 1dug h ALA 97 Ca 0.12 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1dug h ALA 97 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1dug h ALA 97 CO 0.04 0.50 -0.27 0.28 0.00 0.00 0.00 179.25 179.81 1dug h VAL 98 N 0.50 1.27 0.00 0.00 2.07 -0.98 -2.92 116.25 116.19 1dug h VAL 98 Ca 0.09 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 1dug h VAL 98 Cb 0.49 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1dug h VAL 98 CO 0.03 0.49 -0.19 -0.07 0.02 0.00 0.00 177.57 177.84 1dug h LEU 99 N 0.78 0.00 -1.37 2.57 3.38 -0.80 -0.75 115.31 119.11 1dug h LEU 99 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1dug h LEU 99 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1dug h LEU 99 CO 0.07 0.19 0.01 0.44 0.09 0.00 0.00 178.44 179.25 1dug h ASP 100 N 0.00 0.39 0.05 -0.43 3.32 -1.16 0.28 116.42 118.86 1dug h ASP 100 Ca -0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1dug h ASP 100 Cb 0.35 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1dug h ASP 100 CO 0.03 0.45 -0.02 0.40 -1.72 0.00 0.00 179.24 178.37 1dug h ILE 101 N 0.41 1.05 -0.52 0.35 2.04 -1.33 -1.97 117.51 117.55 1dug h ILE 101 Ca 0.09 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1dug h ILE 101 Cb 0.26 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1dug h ILE 101 CO 0.01 0.33 0.29 -0.09 0.00 0.00 0.00 178.15 178.69 1dug h ARG 102 N -0.94 0.73 0.00 2.37 9.65 -1.09 -1.77 114.38 123.33 1dug h ARG 102 Ca -0.01 -0.08 -0.08 0.00 -1.10 0.00 0.00 59.98 58.71 1dug h ARG 102 Cb 0.59 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1dug h ARG 102 CO 0.01 0.56 -0.40 1.88 2.80 0.00 0.00 179.97 184.83 1dug h TYR 103 N 0.70 0.00 -0.72 2.20 0.05 -0.60 -2.51 116.97 116.09 1dug h TYR 103 Ca 0.19 0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.01 1dug h TYR 103 Cb 0.04 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 1dug h TYR 103 CO -0.02 0.40 0.47 0.78 -1.05 0.00 0.00 178.16 178.74 1dug h GLY 104 N 2.56 0.97 0.37 3.88 0.00 -0.52 0.14 103.07 110.46 1dug h GLY 104 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1dug h GLY 104 CO 0.05 0.26 -0.09 -2.08 0.00 0.00 0.00 176.54 174.68 1dug h VAL 105 N 0.81 0.72 -0.64 4.60 2.07 -1.15 -3.33 116.25 119.34 1dug h VAL 105 Ca 0.30 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.85 1dug h VAL 105 Cb 0.16 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1dug h VAL 105 CO -0.09 0.19 0.42 0.28 0.02 0.00 0.00 177.57 178.38 1dug h SER 106 N -0.90 0.48 0.49 0.57 0.02 -1.06 -0.66 113.55 112.48 1dug h SER 106 Ca -0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1dug h SER 106 Cb 0.50 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1dug h SER 106 CO 0.04 0.30 0.00 0.03 -1.14 0.00 0.00 176.83 176.06 1dug h ARG 107 N 0.54 0.00 0.00 3.45 3.08 -0.84 -3.07 114.38 117.54 1dug h ARG 107 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1dug h ARG 107 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1dug h ARG 107 CO -0.09 0.00 -0.13 0.44 -1.07 0.00 0.00 179.97 179.12 1dug n ILE 108 N -2.40 0.00 0.28 2.04 -5.35 -0.72 -4.77 119.36 108.43 1dug n ILE 108 Ca 0.00 -0.39 0.13 0.00 -0.27 0.00 0.00 62.75 62.22 1dug n ILE 108 Cb 0.17 0.92 0.82 0.00 -1.74 0.00 0.00 39.64 39.81 1dug n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dug h ALA 109 N 0.00 1.54 -0.00 -1.28 0.00 -1.04 -2.58 119.26 115.88 1dug h ALA 109 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dug h ALA 109 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dug h ALA 109 CO 0.00 0.05 -0.69 0.66 0.00 0.00 0.00 179.25 179.27 1dug n TYR 110 N -3.91 0.00 -2.25 0.00 4.02 -1.26 -0.37 117.16 113.40 1dug n TYR 110 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.48 1dug n TYR 110 Cb 0.13 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.36 1dug n TYR 110 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dug s SER 111 N -2.83 6.42 0.48 7.72 0.15 -0.97 -4.56 113.70 120.11 1dug s SER 111 Ca 0.13 2.39 0.27 0.00 0.70 0.00 0.00 55.95 59.44 1dug s SER 111 Cb 0.17 -2.62 1.09 0.00 -1.71 0.00 0.00 66.02 62.96 1dug s SER 111 CO 0.73 -0.75 1.89 0.11 1.20 0.00 0.00 173.24 176.42 1dug h LYS 112 N 2.53 0.00 -0.73 5.44 1.57 -1.93 -2.41 116.57 121.05 1dug h LYS 112 Ca -0.49 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.22 1dug h LYS 112 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1dug h LYS 112 CO 0.62 0.15 0.09 -0.25 -0.57 0.00 0.00 179.45 179.49 1dug n ASP 113 N -3.32 4.54 -0.18 0.86 8.00 -1.26 -4.62 116.55 120.57 1dug n ASP 113 Ca 0.00 -2.82 -0.07 0.00 0.71 0.00 0.00 54.79 52.61 1dug n ASP 113 Cb 0.38 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 1dug n ASP 113 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1dug h PHE 114 N 2.74 -1.09 -1.31 1.24 3.57 -1.65 -0.33 116.94 120.09 1dug h PHE 114 Ca 0.09 0.07 0.38 0.00 3.53 0.00 0.00 57.97 62.04 1dug h PHE 114 Cb 1.81 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 41.05 1dug h PHE 114 CO 0.93 -0.41 1.04 0.93 -2.23 0.00 0.00 178.31 178.57 1dug h GLU 115 N -0.23 0.00 0.02 1.11 4.39 -1.87 0.15 114.58 118.15 1dug h GLU 115 Ca 0.19 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.50 1dug h GLU 115 Cb 0.56 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 1dug h GLU 115 CO -0.64 0.00 -2.40 0.25 -1.16 0.00 0.00 179.01 175.06 1dug n THR 116 N -3.91 1.54 0.27 1.13 -2.24 -0.49 -4.29 114.28 106.29 1dug n THR 116 Ca 0.29 -0.58 0.11 0.00 -2.27 0.00 0.00 64.05 61.60 1dug n THR 116 Cb 1.45 -1.48 0.76 0.00 -2.10 0.00 0.00 70.33 68.97 1dug n THR 116 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1dug h LEU 117 N -0.00 0.00 -1.54 3.22 3.38 0.38 -1.28 115.31 119.47 1dug h LEU 117 Ca -0.56 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1dug h LEU 117 Cb 1.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 1dug h LEU 117 CO -0.07 0.02 -0.08 0.07 0.09 0.00 0.00 178.44 178.48 1dug h LYS 118 N 0.00 0.00 -0.38 1.13 2.10 -0.97 -2.97 116.57 115.48 1dug h LYS 118 Ca -0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1dug h LYS 118 Cb 0.05 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.35 1dug h LYS 118 CO 0.00 0.08 0.22 0.28 -2.00 0.00 0.00 179.45 178.04 1dug h VAL 119 N 0.00 1.04 -0.53 0.07 2.07 -1.44 0.21 116.25 117.67 1dug h VAL 119 Ca -0.00 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 1dug h VAL 119 Cb 0.52 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1dug h VAL 119 CO 0.01 0.08 -0.13 -0.78 0.02 0.00 0.00 177.57 176.77 1dug h ASP 120 N 0.46 1.02 -0.36 0.57 1.82 -1.67 -1.88 116.42 116.37 1dug h ASP 120 Ca 0.15 -0.35 -0.03 0.00 -0.39 0.00 0.00 57.03 56.41 1dug h ASP 120 Cb 0.01 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1dug h ASP 120 CO -0.07 1.14 0.10 0.15 -1.61 0.00 0.00 179.24 178.95 1dug h PHE 121 N 0.89 0.60 0.00 0.28 3.57 -1.40 -2.63 116.94 118.25 1dug h PHE 121 Ca 0.13 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1dug h PHE 121 Cb 0.70 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1dug h PHE 121 CO 0.05 0.59 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.55 1dug h LEU 122 N 0.44 0.00 -0.62 0.59 3.38 -0.50 -0.45 115.31 118.14 1dug h LEU 122 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1dug h LEU 122 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1dug h LEU 122 CO -0.00 0.09 -0.69 -1.28 0.09 0.00 0.00 178.44 176.66 1dug h SER 123 N 0.00 0.01 0.26 -0.43 0.87 -0.99 -3.24 113.55 110.04 1dug h SER 123 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1dug h SER 123 Cb 0.50 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1dug h SER 123 CO 0.01 0.70 -1.40 0.29 -0.53 0.00 0.00 176.83 175.90 1dug n LYS 124 N -3.73 0.42 -0.26 2.24 5.02 -0.91 -4.49 118.16 116.45 1dug n LYS 124 Ca -0.01 -0.06 -0.01 0.00 -2.02 0.00 0.00 58.31 56.20 1dug n LYS 124 Cb 0.67 -1.58 0.10 0.00 -0.02 0.00 0.00 35.03 34.21 1dug n LYS 124 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1dug h LEU 125 N 0.00 0.70 -0.87 -0.35 5.85 -1.12 -2.92 115.31 116.61 1dug h LEU 125 Ca 0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1dug h LEU 125 Cb 0.83 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 1dug h LEU 125 CO 0.00 0.46 0.51 -0.65 -0.34 0.00 0.00 178.44 178.42 1dug h PRO 126 N 0.84 0.80 -0.68 5.25 0.11 -1.79 0.29 132.00 136.83 1dug h PRO 126 Ca 0.32 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.30 1dug h PRO 126 Cb 0.12 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 1dug h PRO 126 CO -0.15 0.53 0.10 1.49 -0.21 0.00 0.00 178.00 179.76 1dug h GLU 127 N 0.83 1.12 -0.25 1.05 4.81 -1.81 -0.00 114.58 120.33 1dug h GLU 127 Ca 0.43 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1dug h GLU 127 Cb 0.41 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1dug h GLU 127 CO -0.26 1.03 0.05 0.52 -0.73 0.00 0.00 179.01 179.62 1dug h MET 128 N 1.05 0.40 -0.54 1.92 2.86 -1.21 -2.88 114.93 116.52 1dug h MET 128 Ca 0.20 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1dug h MET 128 Cb 0.46 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1dug h MET 128 CO 0.01 0.52 0.16 -0.07 1.06 0.00 0.00 176.91 178.59 1dug h LEU 129 N 0.22 0.75 -1.37 1.22 3.38 -0.81 -2.67 115.31 116.04 1dug h LEU 129 Ca 0.08 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1dug h LEU 129 Cb 0.30 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1dug h LEU 129 CO 0.00 0.72 0.45 0.50 0.09 0.00 0.00 178.44 180.20 1dug h LYS 130 N 0.79 0.81 -0.74 1.13 3.64 -0.78 -0.64 116.57 120.77 1dug h LYS 130 Ca 0.18 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1dug h LYS 130 Cb 0.24 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1dug h LYS 130 CO -0.01 0.53 0.43 0.52 -2.27 0.00 0.00 179.45 178.65 1dug h MET 131 N 0.83 1.01 -0.00 1.90 2.86 -1.30 0.08 114.93 120.31 1dug h MET 131 Ca 0.27 -0.10 -0.21 0.00 -2.06 0.00 0.00 59.70 57.60 1dug h MET 131 Cb 0.04 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 1dug h MET 131 CO -0.07 0.73 -0.90 0.74 1.06 0.00 0.00 176.91 178.47 1dug h PHE 132 N 1.03 0.45 -0.47 -0.22 0.04 -1.33 -1.90 116.94 114.53 1dug h PHE 132 Ca 0.26 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1dug h PHE 132 Cb -0.01 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1dug h PHE 132 CO 0.01 1.05 0.23 1.49 -0.60 0.00 0.00 178.31 180.49 1dug h GLU 133 N 0.17 0.67 -0.57 1.51 4.57 -0.52 -1.17 114.58 119.24 1dug h GLU 133 Ca -0.06 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1dug h GLU 133 Cb 1.53 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.97 1dug h GLU 133 CO 0.15 0.57 -0.03 -0.44 -1.18 0.00 0.00 179.01 178.08 1dug h ASP 134 N 0.61 1.00 -0.90 1.04 3.32 -0.97 -2.83 116.42 117.68 1dug h ASP 134 Ca 0.16 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1dug h ASP 134 Cb 0.11 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1dug h ASP 134 CO -0.02 1.06 0.59 -0.09 -1.72 0.00 0.00 179.24 179.07 1dug h ARG 135 N 0.92 1.19 0.00 3.56 9.65 -0.97 -1.54 114.38 127.19 1dug h ARG 135 Ca 0.16 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1dug h ARG 135 Cb 0.57 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1dug h ARG 135 CO 0.03 0.79 0.00 1.28 2.80 0.00 0.00 179.97 184.87 1dug n LEU 136 N -4.39 0.00 -4.65 3.80 4.77 -0.47 -4.63 117.00 111.42 1dug n LEU 136 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1dug n LEU 136 Cb 0.02 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1dug n LEU 136 CO 0.37 0.00 1.51 0.00 -1.33 0.00 0.00 177.39 177.93 1dug n HIS 138 N 7.99 -0.17 -4.30 0.00 8.25 -1.26 -5.00 115.22 120.73 1dug n HIS 138 Ca 0.20 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.48 1dug n HIS 138 Cb 0.43 -2.67 -0.15 0.00 1.12 0.00 0.00 29.99 28.72 1dug n HIS 138 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1dug s LYS 139 N -3.58 0.64 -0.02 -0.41 1.02 -0.82 -5.04 119.74 111.53 1dug s LYS 139 Ca 0.00 -0.30 -0.22 0.00 0.02 0.00 0.00 55.97 55.48 1dug s LYS 139 Cb 0.00 -0.61 -0.24 0.00 -0.52 0.00 0.00 37.83 36.45 1dug s LYS 139 CO 0.00 0.17 1.05 1.15 -0.92 0.00 0.00 175.35 176.80 1dug h THR 140 N 4.93 1.48 -2.09 2.17 2.02 -1.85 -3.46 112.91 116.12 1dug h THR 140 Ca -0.30 -2.10 -0.56 0.00 0.77 0.00 0.00 66.41 64.21 1dug h THR 140 Cb 1.18 2.73 -0.13 0.00 -1.74 0.00 0.00 68.15 70.19 1dug h THR 140 CO 0.50 0.60 -0.58 -0.31 0.37 0.00 0.00 175.52 176.09 1dug s TYR 141 N -3.07 2.12 0.40 3.16 2.02 -0.15 -4.92 117.35 116.90 1dug s TYR 141 Ca -0.14 -0.90 0.15 0.00 -0.37 0.00 0.00 57.07 55.81 1dug s TYR 141 Cb 0.02 -1.48 1.00 0.00 -0.40 0.00 0.00 41.96 41.11 1dug s TYR 141 CO 0.80 0.15 1.88 -0.07 -1.57 0.00 0.00 175.55 176.73 1dug h LEU 142 N 1.86 0.47 -3.28 -1.29 3.38 -1.91 -1.30 115.31 113.24 1dug h LEU 142 Ca -0.42 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1dug h LEU 142 Cb 1.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1dug h LEU 142 CO 0.73 0.22 0.00 -3.20 0.09 0.00 0.00 178.44 176.27 1dug n ASN 143 N -4.52 3.87 0.00 -0.43 5.15 -1.26 -4.94 115.26 113.13 1dug n ASN 143 Ca 0.17 -3.07 0.00 0.00 -0.60 0.00 0.00 54.58 51.09 1dug n ASN 143 Cb 0.59 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1dug n ASN 143 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dug n GLY 144 N -0.52 0.47 0.17 8.20 0.00 -0.49 -4.61 105.19 108.41 1dug n GLY 144 Ca 0.23 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.65 1dug n GLY 144 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dug h ASP 145 N 0.00 0.00 -3.36 1.61 3.45 -1.97 -0.37 116.42 115.78 1dug h ASP 145 Ca 0.00 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.79 1dug h ASP 145 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 1dug h ASP 145 CO 0.00 0.44 -0.64 -1.00 -1.57 0.00 0.00 179.24 176.48 1dug s HIS 146 N -3.46 3.11 0.44 4.55 3.76 -1.26 -4.85 115.29 117.57 1dug s HIS 146 Ca 0.01 0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 54.80 1dug s HIS 146 Cb 0.10 -1.72 -0.08 0.00 1.11 0.00 0.00 32.58 32.00 1dug s HIS 146 CO 0.71 0.46 1.24 0.08 -0.85 0.00 0.00 174.74 176.38 1dug s VAL 147 N -0.99 2.79 0.16 -0.90 1.01 -1.26 -4.52 120.40 116.68 1dug s VAL 147 Ca 0.17 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1dug s VAL 147 Cb -0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1dug s VAL 147 CO 0.07 0.04 -0.00 0.42 0.00 0.00 0.00 175.10 175.62 1dug s THR 148 N -1.39 0.63 0.47 3.92 -4.23 -1.26 -4.97 115.64 108.81 1dug s THR 148 Ca 0.61 -1.97 0.13 0.00 -1.18 0.00 0.00 61.69 59.28 1dug s THR 148 Cb -0.34 -2.05 0.27 0.00 1.34 0.00 0.00 72.50 71.73 1dug s THR 148 CO 0.42 -0.54 2.10 1.12 -0.54 0.00 0.00 174.62 177.19 1dug h HIS 149 N 2.75 0.23 0.00 3.99 2.07 -1.95 -1.78 115.15 120.46 1dug h HIS 149 Ca -0.36 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1dug h HIS 149 Cb 1.20 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.10 1dug h HIS 149 CO 0.53 0.14 0.00 -1.35 -3.07 0.00 0.00 177.93 174.18 1dug h PRO 150 N 0.24 0.00 -0.51 5.12 0.11 -1.96 -1.58 132.00 133.42 1dug h PRO 150 Ca 0.08 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1dug h PRO 150 Cb 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1dug h PRO 150 CO -0.02 0.00 0.16 -0.44 -0.21 0.00 0.00 178.00 177.49 1dug h ASP 151 N 0.00 0.75 0.74 -2.05 3.32 -1.74 0.13 116.42 117.57 1dug h ASP 151 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.70 1dug h ASP 151 Cb 0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1dug h ASP 151 CO 0.00 0.76 -0.65 -0.26 -1.72 0.00 0.00 179.24 177.37 1dug h PHE 152 N 0.70 0.00 -0.36 4.55 0.04 -1.45 -0.73 116.94 119.69 1dug h PHE 152 Ca 0.17 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 1dug h PHE 152 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1dug h PHE 152 CO 0.02 0.65 -0.23 0.52 -0.60 0.00 0.00 178.31 178.67 1dug h MET 153 N 0.00 0.80 -0.50 1.51 2.86 -1.11 -2.02 114.93 116.47 1dug h MET 153 Ca -0.01 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 57.18 1dug h MET 153 Cb 1.20 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1dug h MET 153 CO 0.08 1.00 -0.01 1.25 1.06 0.00 0.00 176.91 180.30 1dug h LEU 154 N 0.59 0.87 -0.43 1.22 5.85 -0.61 -0.78 115.31 122.03 1dug h LEU 154 Ca 0.07 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.54 1dug h LEU 154 Cb 0.79 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1dug h LEU 154 CO 0.06 0.97 0.14 0.22 -0.34 0.00 0.00 178.44 179.50 1dug h TYR 155 N 0.75 0.25 -0.46 1.25 3.20 -1.02 0.37 116.97 121.30 1dug h TYR 155 Ca 0.14 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1dug h TYR 155 Cb 0.53 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1dug h TYR 155 CO 0.04 0.09 0.29 0.22 -1.64 0.00 0.00 178.16 177.16 1dug h ASP 156 N 0.31 0.54 -0.69 -2.11 3.58 -1.10 -0.72 116.42 116.23 1dug h ASP 156 Ca 0.20 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1dug h ASP 156 Cb 0.20 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1dug h ASP 156 CO -0.21 0.42 0.39 0.00 -2.88 0.00 0.00 179.24 176.96 1dug h ALA 157 N 1.15 0.89 -0.52 -0.78 0.00 -0.45 -1.43 119.26 118.12 1dug h ALA 157 Ca 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1dug h ALA 157 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1dug h ALA 157 CO -0.03 0.39 0.14 -0.07 0.00 0.00 0.00 179.25 179.67 1dug h LEU 158 N 0.95 0.77 -0.33 0.00 3.38 -0.65 -0.07 115.31 119.36 1dug h LEU 158 Ca 0.25 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1dug h LEU 158 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1dug h LEU 158 CO -0.04 0.79 0.09 -0.78 0.09 0.00 0.00 178.44 178.59 1dug h ASP 159 N 0.71 0.07 -0.06 -0.43 3.58 -0.82 -1.68 116.42 117.79 1dug h ASP 159 Ca 0.16 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1dug h ASP 159 Cb 0.31 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 1dug h ASP 159 CO -0.00 0.07 0.00 0.58 -2.88 0.00 0.00 179.24 177.02 1dug h VAL 160 N 0.22 1.24 0.00 2.25 2.07 -1.01 -3.10 116.25 117.91 1dug h VAL 160 Ca 0.15 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1dug h VAL 160 Cb 0.15 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1dug h VAL 160 CO -0.18 0.20 -0.20 -0.37 0.02 0.00 0.00 177.57 177.04 1dug h VAL 161 N -0.18 0.69 -0.04 2.57 -1.51 -0.95 -1.96 116.25 114.88 1dug h VAL 161 Ca 0.02 -0.83 -0.04 0.00 -1.23 0.00 0.00 66.70 64.62 1dug h VAL 161 Cb 0.31 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 1dug h VAL 161 CO 0.00 0.19 -0.15 -0.07 -1.23 0.00 0.00 177.57 176.32 1dug h LEU 162 N 0.00 0.06 -0.58 4.19 3.38 -1.23 0.25 115.31 121.38 1dug h LEU 162 Ca -0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1dug h LEU 162 Cb 0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1dug h LEU 162 CO 0.03 0.21 -0.68 1.88 0.09 0.00 0.00 178.44 179.96 1dug h TYR 163 N 0.06 0.18 0.11 1.13 0.05 -1.34 -1.38 116.97 115.78 1dug h TYR 163 Ca 0.01 -0.08 -0.28 0.00 0.05 0.00 0.00 58.73 58.43 1dug h TYR 163 Cb 0.30 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 1dug h TYR 163 CO 0.00 0.78 -1.32 1.98 -1.05 0.00 0.00 178.16 178.55 1dug h MET 164 N 0.09 0.23 -2.11 4.88 4.05 -1.19 -3.43 114.93 117.46 1dug h MET 164 Ca -0.01 -0.40 -0.43 0.00 -0.28 0.00 0.00 59.70 58.58 1dug h MET 164 Cb 1.22 0.15 -0.33 0.00 -0.80 0.00 0.00 31.60 31.84 1dug h MET 164 CO 0.10 1.15 -0.73 0.34 0.23 0.00 0.00 176.91 178.00 1dug s ASP 165 N -7.03 1.62 0.62 1.39 3.68 0.80 -5.01 116.67 112.73 1dug s ASP 165 Ca -0.05 -1.78 0.25 0.00 2.13 0.00 0.00 52.55 53.10 1dug s ASP 165 Cb 0.07 0.30 1.37 0.00 -1.45 0.00 0.00 42.92 43.22 1dug s ASP 165 CO 0.87 -0.27 1.76 -0.65 0.13 0.00 0.00 175.17 177.01 1dug h PRO 166 N 6.99 0.00 -0.01 4.34 0.11 -1.46 -0.31 132.00 141.65 1dug h PRO 166 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1dug h PRO 166 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dug h PRO 166 CO 0.21 0.00 -0.61 -1.33 -0.21 0.00 0.00 178.00 176.07 1dug n MET 167 N -2.74 0.81 0.32 1.05 2.81 -1.26 -4.61 117.12 113.50 1dug n MET 167 Ca -0.02 -0.66 0.18 0.00 -1.81 0.00 0.00 57.70 55.40 1dug n MET 167 Cb 0.42 -1.49 0.99 0.00 -0.71 0.00 0.00 33.22 32.43 1dug n MET 167 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dug n LEU 169 N -2.91 2.62 -0.36 0.00 4.77 -1.26 -4.59 117.00 115.27 1dug n LEU 169 Ca -0.02 -1.04 0.07 0.00 -0.03 0.00 0.00 56.01 54.99 1dug n LEU 169 Cb 0.20 -0.02 0.24 0.00 -2.33 0.00 0.00 43.42 41.51 1dug n LEU 169 CO 0.16 0.46 1.23 0.44 -1.33 0.00 0.00 177.39 178.35 1dug h ASP 170 N 3.71 0.92 -0.23 -1.43 3.32 -1.64 -0.97 116.42 120.10 1dug h ASP 170 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1dug h ASP 170 Cb 0.79 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1dug h ASP 170 CO 0.00 0.49 0.00 0.00 -1.72 0.00 0.00 179.24 178.01 1dug n ALA 171 N -2.35 2.51 -3.53 3.45 0.00 -1.26 -4.50 120.51 114.83 1dug n ALA 171 Ca 0.19 -0.42 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 1dug n ALA 171 Cb 0.35 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 1dug n ALA 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dug n PHE 172 N 0.18 1.81 -0.32 0.00 3.72 -0.37 -4.97 117.46 117.51 1dug n PHE 172 Ca 0.08 -3.92 0.13 0.00 -0.05 0.00 0.00 57.45 53.69 1dug n PHE 172 Cb 0.23 -0.37 0.35 0.00 -0.94 0.00 0.00 39.48 38.75 1dug n PHE 172 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1dug h PRO 173 N 4.85 0.72 -0.50 -1.08 0.13 -1.79 -1.97 132.00 132.36 1dug h PRO 173 Ca 0.18 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1dug h PRO 173 Cb 0.78 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 1dug h PRO 173 CO 0.63 0.48 0.03 0.87 -0.23 0.00 0.00 178.00 179.78 1dug h LYS 174 N 0.74 0.86 -0.42 0.86 6.56 -1.93 -0.60 116.57 122.64 1dug h LYS 174 Ca 0.52 -0.26 -0.09 0.00 -1.06 0.00 0.00 60.65 59.77 1dug h LYS 174 Cb 0.82 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.38 1dug h LYS 174 CO -0.29 0.88 -0.09 -0.07 -2.06 0.00 0.00 179.45 177.82 1dug h LEU 175 N 0.72 0.73 -0.44 2.94 3.38 -1.74 0.39 115.31 121.29 1dug h LEU 175 Ca 0.15 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1dug h LEU 175 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1dug h LEU 175 CO 0.02 0.85 -0.09 0.58 0.09 0.00 0.00 178.44 179.89 1dug h VAL 176 N 0.68 1.27 -0.44 1.22 2.07 -1.21 -0.38 116.25 119.45 1dug h VAL 176 Ca 0.12 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1dug h VAL 176 Cb 0.54 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1dug h VAL 176 CO 0.03 0.41 0.19 0.00 0.02 0.00 0.00 177.57 178.22 1dug h PHE 178 N 0.57 0.19 -0.66 0.00 3.57 -0.02 -0.68 116.94 119.92 1dug h PHE 178 Ca 0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1dug h PHE 178 Cb 0.16 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1dug h PHE 178 CO -0.00 0.09 0.35 -0.22 -2.23 0.00 0.00 178.31 176.30 1dug h LYS 179 N 0.24 0.92 -0.41 1.11 3.64 -0.87 -1.36 116.57 119.83 1dug h LYS 179 Ca 0.13 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1dug h LYS 179 Cb 0.10 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1dug h LYS 179 CO -0.13 0.68 -0.32 0.87 -2.27 0.00 0.00 179.45 178.28 1dug h LYS 180 N 0.92 0.94 -0.83 1.90 1.57 -0.92 -2.38 116.57 117.77 1dug h LYS 180 Ca 0.23 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1dug h LYS 180 Cb 0.04 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1dug h LYS 180 CO -0.04 1.12 0.39 -0.09 -0.57 0.00 0.00 179.45 180.26 1dug h ARG 181 N 0.78 1.20 -0.40 3.15 2.43 -0.58 0.18 114.38 121.15 1dug h ARG 181 Ca 0.08 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1dug h ARG 181 Cb 0.91 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1dug h ARG 181 CO 0.08 0.93 0.02 0.82 -1.51 0.00 0.00 179.97 180.32 1dug h ILE 182 N 1.19 1.25 0.00 1.20 1.08 -1.20 -2.13 117.51 118.90 1dug h ILE 182 Ca 0.29 -0.96 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1dug h ILE 182 Cb 0.13 1.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1dug h ILE 182 CO -0.03 0.32 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.40 1dug h GLU 183 N 0.52 0.00 0.00 2.37 5.08 -0.87 -2.12 114.58 119.56 1dug h GLU 183 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1dug h GLU 183 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1dug h GLU 183 CO 0.02 0.02 -0.16 0.00 -1.00 0.00 0.00 179.01 177.88 1dug h ALA 184 N 1.98 0.90 -2.48 3.43 0.00 -0.00 -3.27 119.26 119.83 1dug h ALA 184 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1dug h ALA 184 Cb 0.38 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.21 1dug h ALA 184 CO 0.00 0.00 1.10 0.42 0.00 0.00 0.00 179.25 180.78 1dug s ILE 185 N -3.16 2.70 0.23 0.00 1.01 -0.80 -4.82 121.20 116.36 1dug s ILE 185 Ca 0.08 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.74 1dug s ILE 185 Cb 0.10 -3.09 0.30 0.00 0.01 0.00 0.00 42.46 39.77 1dug s ILE 185 CO 0.65 -0.00 1.58 -0.65 0.00 0.00 0.00 174.94 176.52 1dug h PRO 186 N 8.79 -0.03 -0.14 2.79 0.11 -1.89 0.49 132.00 142.12 1dug h PRO 186 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1dug h PRO 186 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1dug h PRO 186 CO 0.94 -0.02 -0.14 1.96 -0.21 0.00 0.00 178.00 180.53 1dug h GLN 187 N -0.03 0.22 0.04 1.05 7.50 -1.89 -1.75 115.11 120.24 1dug h GLN 187 Ca 0.36 -0.05 -0.20 0.00 0.50 0.00 0.00 58.65 59.26 1dug h GLN 187 Cb 0.60 -0.03 0.02 0.00 0.05 0.00 0.00 27.48 28.11 1dug h GLN 187 CO -0.84 0.37 -0.79 0.82 -1.50 0.00 0.00 178.83 176.88 1dug h ILE 188 N 0.21 1.40 -0.26 2.54 1.08 -1.32 -2.22 117.51 118.94 1dug h ILE 188 Ca 0.04 -2.22 0.04 0.00 -0.39 0.00 0.00 64.86 62.33 1dug h ILE 188 Cb 0.38 2.67 -0.04 0.00 -3.07 0.00 0.00 36.82 36.76 1dug h ILE 188 CO 0.02 0.66 -0.01 -0.78 -0.69 0.00 0.00 178.15 177.35 1dug h ASP 189 N -0.01 -0.12 -0.59 1.72 -0.00 -0.81 0.85 116.42 117.47 1dug h ASP 189 Ca -0.11 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1dug h ASP 189 Cb 1.51 0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 40.92 1dug h ASP 189 CO 0.15 -0.03 0.37 0.50 -0.00 0.00 0.00 179.24 180.24 1dug h LYS 190 N 0.07 0.79 -0.12 0.28 3.64 -1.38 -2.42 116.57 117.43 1dug h LYS 190 Ca 0.12 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1dug h LYS 190 Cb 0.16 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1dug h LYS 190 CO -0.21 0.55 0.05 -0.92 -2.27 0.00 0.00 179.45 176.65 1dug h TYR 191 N 0.80 0.17 0.00 1.91 3.20 -0.79 -1.71 116.97 120.55 1dug h TYR 191 Ca 0.21 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1dug h TYR 191 Cb -0.05 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1dug h TYR 191 CO -0.03 0.23 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.65 1dug h LEU 192 N 0.06 0.00 -2.27 2.82 3.38 -0.67 -0.67 115.31 117.96 1dug h LEU 192 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dug h LEU 192 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1dug h LEU 192 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1dug n LYS 193 N -3.52 2.26 -2.64 1.13 5.02 -0.93 0.30 118.16 119.79 1dug n LYS 193 Ca -0.03 -2.08 -0.22 0.00 -2.02 0.00 0.00 58.31 53.96 1dug n LYS 193 Cb 0.08 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1dug n LYS 193 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1dug s SER 194 N -1.34 5.04 0.00 4.39 1.04 -0.26 -4.86 113.70 117.71 1dug s SER 194 Ca 0.32 -0.13 0.28 0.00 0.48 0.00 0.00 55.95 56.90 1dug s SER 194 Cb 0.19 -0.62 1.29 0.00 0.10 0.00 0.00 66.02 66.98 1dug s SER 194 CO 0.27 -1.33 1.92 -1.54 0.98 0.00 0.00 173.24 173.54 1dug n SER 195 N -2.46 0.00 0.05 7.02 3.41 -1.26 -3.10 113.62 117.27 1dug n SER 195 Ca 0.10 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1dug n SER 195 Cb 0.60 -0.40 0.19 0.00 -0.26 0.00 0.00 64.21 64.35 1dug n SER 195 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dug n LYS 196 N -1.40 0.23 -2.24 4.33 5.02 -1.26 -4.12 118.16 118.72 1dug n LYS 196 Ca 0.10 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 1dug n LYS 196 Cb 0.27 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1dug n LYS 196 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1dug s TYR 197 N -3.13 3.30 -0.52 2.13 5.04 -1.18 -4.96 117.35 118.03 1dug s TYR 197 Ca 0.07 1.05 -0.08 0.00 -2.44 0.00 0.00 57.07 55.67 1dug s TYR 197 Cb 0.14 -3.61 0.13 0.00 0.35 0.00 0.00 41.96 38.98 1dug s TYR 197 CO 0.72 -2.07 0.38 0.42 -1.34 0.00 0.00 175.55 173.65 1dug s ILE 198 N 1.07 4.18 -0.47 3.14 1.01 -1.26 -4.73 121.20 124.14 1dug s ILE 198 Ca 0.63 -2.04 0.24 0.00 0.00 0.00 0.00 60.65 59.48 1dug s ILE 198 Cb -0.35 -3.74 0.33 0.00 0.01 0.00 0.00 42.46 38.72 1dug s ILE 198 CO 0.30 -0.81 1.67 0.00 0.00 0.00 0.00 174.94 176.10 1dug h ALA 199 N 8.15 1.00 -1.94 9.38 0.00 -1.82 -3.42 119.26 130.61 1dug h ALA 199 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1dug h ALA 199 Cb 1.05 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 1dug h ALA 199 CO 0.82 0.00 0.34 -0.46 0.00 0.00 0.00 179.25 179.95 1dug s TRP 200 N -3.22 -0.52 0.92 0.00 -0.11 -1.25 -4.77 118.94 109.99 1dug s TRP 200 Ca 0.07 0.83 -0.13 0.00 1.22 0.00 0.00 56.10 58.09 1dug s TRP 200 Cb 0.07 0.44 0.14 0.00 -1.50 0.00 0.00 33.47 32.62 1dug s TRP 200 CO 0.64 -0.53 1.16 -1.25 -4.62 0.00 0.00 176.95 172.35 1dug s PRO 201 N -1.50 1.09 -0.09 5.86 0.04 -1.26 -4.31 135.00 134.83 1dug s PRO 201 Ca -0.06 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.18 1dug s PRO 201 Cb -0.00 -1.84 -0.25 0.00 0.04 0.00 0.00 34.50 32.44 1dug s PRO 201 CO 0.04 -2.21 0.48 1.28 0.04 0.00 0.00 177.00 176.62 1dug n LEU 202 N -3.76 1.96 0.00 -3.56 4.77 -0.33 -1.40 117.00 114.68 1dug n LEU 202 Ca 0.08 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1dug n LEU 202 Cb 0.60 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1dug n LEU 202 CO 0.56 0.68 0.00 0.00 -1.33 0.00 0.00 177.39 177.29 1dug n GLN 203 N -3.31 2.40 -2.02 3.23 1.13 -0.49 -0.86 117.38 117.45 1dug n GLN 203 Ca -0.26 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.44 1dug n GLN 203 Cb 1.05 0.00 0.03 0.00 0.11 0.00 0.00 30.24 31.43 1dug n GLN 203 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1dug s GLY 204 N -0.74 2.74 0.50 1.08 0.00 -1.26 -4.75 107.32 104.89 1dug s GLY 204 Ca 0.00 1.01 0.29 0.00 0.00 0.00 0.00 44.72 46.02 1dug s GLY 204 CO 0.00 1.40 1.84 1.49 0.00 0.00 0.00 173.10 177.83 1dug h TRP 205 N 0.91 0.18 -0.00 1.90 6.55 -1.87 -0.67 115.95 122.95 1dug h TRP 205 Ca -0.50 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.34 1dug h TRP 205 Cb 1.30 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.54 1dug h TRP 205 CO 0.47 0.03 -0.02 0.00 -1.05 0.00 0.00 178.44 177.86 1dug n GLN 206 N -4.33 0.84 -2.00 0.49 0.00 -1.26 -0.71 117.38 110.40 1dug n GLN 206 Ca 0.22 -0.13 -0.36 0.00 0.00 0.00 0.00 57.00 56.72 1dug n GLN 206 Cb 0.99 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.77 1dug n GLN 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1dug s ALA 207 N -2.26 2.62 0.08 2.61 0.00 -0.26 -4.94 121.76 119.61 1dug s ALA 207 Ca 0.38 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 53.23 1dug s ALA 207 Cb 0.21 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 1dug s ALA 207 CO 0.41 -1.15 1.36 1.15 0.00 0.00 0.00 175.76 177.53 1dug h THR 208 N 1.05 1.32 -3.44 0.00 2.02 -0.95 -3.31 112.91 109.61 1dug h THR 208 Ca -0.50 -1.54 -0.66 0.00 0.77 0.00 0.00 66.41 64.48 1dug h THR 208 Cb 1.29 1.78 -0.21 0.00 -1.74 0.00 0.00 68.15 69.27 1dug h THR 208 CO 0.56 0.48 -0.69 0.12 0.37 0.00 0.00 175.52 176.36 1dug s PHE 209 N -4.17 2.96 -0.87 3.16 5.36 -0.70 -4.57 117.98 119.14 1dug s PHE 209 Ca -0.13 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1dug s PHE 209 Cb 0.07 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 1dug s PHE 209 CO 0.82 0.08 0.00 0.41 -1.46 0.00 0.00 175.22 175.07 1dug n GLY 210 N 3.03 1.01 0.00 13.12 0.00 -1.26 -4.63 105.19 116.46 1dug n GLY 210 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1dug n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dug n GLY 211 N -1.95 3.18 0.20 -0.02 0.00 -1.24 -1.19 105.19 104.17 1dug n GLY 211 Ca -0.08 -2.08 0.03 0.00 0.00 0.00 0.00 46.02 43.88 1dug n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dug n GLY 212 N 5.00 -1.44 0.12 -0.02 0.00 0.11 -4.57 105.19 104.39 1dug n GLY 212 Ca 0.00 -1.48 0.05 0.00 0.00 0.00 0.00 46.02 44.58 1dug n GLY 212 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dug h ASP 213 N -0.19 0.00 -5.26 1.61 3.32 -1.95 -3.39 116.42 110.56 1dug h ASP 213 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1dug h ASP 213 Cb 0.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.59 1dug h ASP 213 CO 0.00 0.36 -0.64 -1.00 -1.72 0.00 0.00 179.24 176.24 1dug s HIS 214 N -3.07 0.54 0.52 4.55 3.76 -1.26 -4.23 115.29 116.09 1dug s HIS 214 Ca 0.00 -1.05 -0.22 0.00 -0.15 0.00 0.00 55.06 53.65 1dug s HIS 214 Cb 0.08 -0.37 -0.06 0.00 1.11 0.00 0.00 32.58 33.35 1dug s HIS 214 CO 0.78 -0.42 1.29 -2.14 -0.85 0.00 0.00 174.74 173.39 1dug s PRO 215 N -3.93 3.35 1.28 8.40 0.02 -1.26 -4.96 135.00 137.89 1dug s PRO 215 Ca 0.10 2.07 -0.21 0.00 0.02 0.00 0.00 61.00 62.97 1dug s PRO 215 Cb 0.08 -2.30 0.32 0.00 0.02 0.00 0.00 34.50 32.61 1dug s PRO 215 CO -0.08 -0.97 1.08 -2.14 -0.33 0.00 0.00 177.00 174.56 1dug s PRO 216 N -2.84 -1.82 0.30 5.54 0.02 -1.26 -5.03 135.00 129.92 1dug s PRO 216 Ca 0.69 -0.13 -0.06 0.00 0.02 0.00 0.00 61.00 61.52 1dug s PRO 216 Cb -0.36 -1.53 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 1dug s PRO 216 CO 0.43 -4.09 0.58 0.15 -0.33 0.00 0.00 177.00 173.74 1dug s LYS 217 N -5.43 3.66 0.00 5.54 -0.14 -1.26 -4.35 119.74 117.77 1dug s LYS 217 Ca 0.71 0.09 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 1dug s LYS 217 Cb -0.09 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 1dug s LYS 217 CO 0.56 0.18 0.00 0.45 -0.76 0.00 0.00 175.35 175.78 1dug n SER 218 N -0.94 0.00 0.29 2.83 2.88 -1.26 -4.54 113.62 112.89 1dug n SER 218 Ca -0.01 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.69 1dug n SER 218 Cb 0.54 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.94 1dug n SER 218 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1dug h ASP 219 N 0.00 0.00 -1.79 -3.46 3.32 -1.88 -3.43 116.42 109.18 1dug h ASP 219 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1dug h ASP 219 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1dug h ASP 219 CO 0.00 0.00 1.26 -0.81 -1.72 0.00 0.00 179.24 177.97 1dug n PRO 220 N -3.77 1.87 -3.49 3.56 -0.04 -1.26 -4.43 135.00 127.43 1dug n PRO 220 Ca -0.03 0.62 -0.29 0.00 -0.04 0.00 0.00 63.50 63.77 1dug n PRO 220 Cb 0.10 -2.72 -0.12 0.00 -0.04 0.00 0.00 33.50 30.72 1dug n PRO 220 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1dug s GLN 221 N 5.06 0.64 0.00 0.54 2.00 -1.26 -5.03 119.66 121.61 1dug s GLN 221 Ca 0.99 -1.42 0.00 0.00 -2.00 0.00 0.00 55.36 52.92 1dug s GLN 221 Cb -0.66 -1.41 0.00 0.00 0.80 0.00 0.00 33.01 31.73 1dug s GLN 221 CO 0.48 -1.21 0.00 0.94 -0.50 0.00 0.00 175.29 175.00 1dug n GLN 222 N 3.96 0.00 0.00 1.67 0.00 -1.26 -4.35 117.38 117.39 1dug n GLN 222 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 1dug n GLN 222 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.61 1dug n GLN 222 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1dug n HIS 223 N 0.00 0.00 -1.07 3.69 1.44 -1.26 -4.76 115.22 113.26 1dug n HIS 223 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 1dug n HIS 223 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 1dug n HIS 223 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1dug n HIS 224 N 0.00 0.00 -4.46 -1.40 8.25 -1.26 -4.98 115.22 111.38 1dug n HIS 224 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1dug n HIS 224 Cb 0.00 -1.39 -0.10 0.00 1.12 0.00 0.00 29.99 29.62 1dug n HIS 224 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1dug s LEU 225 N -0.55 2.58 0.71 2.41 2.34 -1.26 -4.84 118.68 120.06 1dug s LEU 225 Ca 0.00 -0.99 -0.14 0.00 0.06 0.00 0.00 54.13 53.07 1dug s LEU 225 Cb 0.00 -1.13 0.03 0.00 -0.56 0.00 0.00 46.19 44.52 1dug s LEU 225 CO 0.00 0.05 1.12 -0.83 -1.06 0.00 0.00 176.35 175.64 1dug s GLY 226 N -3.36 2.05 0.00 -3.48 0.00 0.87 -4.90 107.32 98.51 1dug s GLY 226 Ca 0.28 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.54 1dug s GLY 226 CO 0.14 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.75 1dug n GLY 227 N -0.49 -2.19 3.94 0.20 0.00 -1.26 -4.80 105.19 100.59 1dug n GLY 227 Ca 0.11 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1dug n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dug n ALA 228 N -3.00 -2.16 0.13 4.61 0.00 -1.26 -4.77 120.51 114.06 1dug n ALA 228 Ca 0.00 -0.30 0.18 0.00 0.00 0.00 0.00 53.44 53.33 1dug n ALA 228 Cb 0.00 -2.01 0.64 0.00 0.00 0.00 0.00 19.45 18.08 1dug n ALA 228 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1dug h LYS 229 N -1.90 0.00 0.00 0.00 1.79 -1.94 -3.00 116.57 111.51 1dug h LYS 229 Ca -0.65 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.82 1dug h LYS 229 Cb 1.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1dug h LYS 229 CO 0.60 0.00 0.00 0.94 -1.08 0.00 0.00 179.45 179.91 1dug n GLN 230 N -3.29 0.00 0.00 3.15 7.27 -1.26 -4.19 117.38 119.06 1dug n GLN 230 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1dug n GLN 230 Cb 0.75 -0.43 0.00 0.00 2.41 0.00 0.00 30.24 32.97 1dug n GLN 230 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1dug n ALA 231 N -1.97 0.00 -1.76 1.69 0.00 -1.13 -3.87 120.51 113.47 1dug n ALA 231 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dug n ALA 231 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1dug n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dug n GLY 232 N -1.42 -5.05 0.00 0.00 0.00 -1.26 -4.49 105.19 92.97 1dug n GLY 232 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1dug n GLY 232 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dug n ASP 233 N 1.30 0.00 -0.14 1.61 8.00 -1.26 -4.56 116.55 121.50 1dug n ASP 233 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1dug n ASP 233 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1dug n ASP 233 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33