#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdd s LYS 2 N 0.00 0.41 0.04 0.03 1.02 -1.26 -5.11 119.74 114.87 1vdd s LYS 2 Ca 0.00 0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.84 1vdd s LYS 2 Cb 0.00 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1vdd s LYS 2 CO 0.00 -0.17 0.00 0.66 -0.92 0.00 0.00 175.35 174.92 1vdd n TYR 3 N 4.38 -0.03 -1.42 3.18 4.02 -1.26 -4.97 117.16 121.06 1vdd n TYR 3 Ca -0.22 0.01 -0.50 0.00 -0.01 0.00 0.00 57.90 57.18 1vdd n TYR 3 Cb 0.55 0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.80 1vdd n TYR 3 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1vdd n PRO 4 N -2.86 0.67 -0.04 -0.72 -0.04 -1.26 -4.72 135.00 126.04 1vdd n PRO 4 Ca 0.00 0.15 0.24 0.00 -0.04 0.00 0.00 63.50 63.85 1vdd n PRO 4 Cb 0.00 -2.21 0.67 0.00 -0.04 0.00 0.00 33.50 31.92 1vdd n PRO 4 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1vdd h PRO 5 N 12.39 0.00 -0.56 0.54 0.13 -1.98 0.30 132.00 142.82 1vdd h PRO 5 Ca -0.20 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.82 1vdd h PRO 5 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1vdd h PRO 5 CO 1.11 0.00 -0.09 0.66 -0.23 0.00 0.00 178.00 179.45 1vdd h SER 6 N 0.00 1.03 -0.15 1.44 4.64 -1.98 0.34 113.55 118.87 1vdd h SER 6 Ca 0.32 -0.33 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 1vdd h SER 6 Cb 1.69 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 63.50 1vdd h SER 6 CO -0.00 1.13 -0.55 0.25 -0.87 0.00 0.00 176.83 176.79 1vdd h LEU 7 N 0.93 0.74 -1.43 5.97 5.85 -0.78 -1.64 115.31 124.95 1vdd h LEU 7 Ca 0.15 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 1vdd h LEU 7 Cb 0.66 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1vdd h LEU 7 CO 0.05 1.23 -0.03 0.58 -0.34 0.00 0.00 178.44 179.92 1vdd h VAL 8 N 0.30 1.16 -0.09 1.05 2.07 -1.24 -1.63 116.25 117.86 1vdd h VAL 8 Ca -0.03 -0.64 -0.17 0.00 0.82 0.00 0.00 66.70 66.68 1vdd h VAL 8 Cb 1.18 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1vdd h VAL 8 CO 0.12 0.21 -0.68 -1.28 0.02 0.00 0.00 177.57 175.96 1vdd h SER 9 N 0.33 0.47 -0.12 0.57 0.87 -0.14 -2.82 113.55 112.71 1vdd h SER 9 Ca 0.07 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 1vdd h SER 9 Cb 0.27 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1vdd h SER 9 CO 0.01 1.01 -0.50 0.25 -0.53 0.00 0.00 176.83 177.07 1vdd h LEU 10 N 0.28 0.65 -0.64 2.23 6.46 -0.86 -2.68 115.31 120.75 1vdd h LEU 10 Ca -0.02 -0.63 0.07 0.00 -0.12 0.00 0.00 57.88 57.18 1vdd h LEU 10 Cb 1.24 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.92 1vdd h LEU 10 CO 0.12 1.16 0.34 0.40 -0.62 0.00 0.00 178.44 179.84 1vdd h ILE 11 N 0.17 0.93 0.37 4.05 1.08 -1.33 0.55 117.51 123.32 1vdd h ILE 11 Ca -0.03 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1vdd h ILE 11 Cb 1.13 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1vdd h ILE 11 CO 0.10 0.11 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.40 1vdd h ARG 12 N 0.62 -0.49 -0.88 2.37 2.43 -1.50 0.11 114.38 117.03 1vdd h ARG 12 Ca 0.30 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.67 1vdd h ARG 12 Cb 0.22 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.78 1vdd h ARG 12 CO -0.20 -0.33 0.45 0.93 -1.51 0.00 0.00 179.97 179.32 1vdd h GLU 13 N -0.51 0.58 -0.20 0.20 4.39 -1.33 -1.03 114.58 116.69 1vdd h GLU 13 Ca -0.05 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1vdd h GLU 13 Cb 0.39 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1vdd h GLU 13 CO 0.08 0.38 0.02 -0.07 -1.16 0.00 0.00 179.01 178.26 1vdd h LEU 14 N 0.59 0.32 -0.17 1.33 3.38 -0.83 -2.53 115.31 117.41 1vdd h LEU 14 Ca 0.50 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1vdd h LEU 14 Cb 0.79 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1vdd h LEU 14 CO -0.40 0.53 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 1vdd n SER 15 N -4.72 0.08 -0.02 -0.43 3.41 0.38 -0.66 113.62 111.64 1vdd n SER 15 Ca -0.04 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1vdd n SER 15 Cb 0.21 -0.54 0.59 0.00 -0.26 0.00 0.00 64.21 64.21 1vdd n SER 15 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1vdd n ARG 16 N -1.60 0.23 -3.14 4.33 0.63 -0.56 -4.79 116.66 111.76 1vdd n ARG 16 Ca 0.01 -0.05 -0.33 0.00 -0.92 0.00 0.00 57.85 56.55 1vdd n ARG 16 Cb 0.04 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.39 1vdd n ARG 16 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1vdd s LEU 17 N -2.80 4.15 0.40 6.15 1.43 0.16 -5.04 118.68 123.12 1vdd s LEU 17 Ca 0.20 1.30 -0.25 0.00 -1.03 0.00 0.00 54.13 54.35 1vdd s LEU 17 Cb 0.19 -3.92 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1vdd s LEU 17 CO 0.53 -0.13 1.20 -2.16 0.23 0.00 0.00 176.35 176.02 1vdd s PRO 18 N -2.69 4.01 -0.99 1.29 0.04 -1.26 -3.29 135.00 132.11 1vdd s PRO 18 Ca 0.51 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1vdd s PRO 18 Cb -0.12 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1vdd s PRO 18 CO 0.18 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1vdd n GLY 19 N 0.65 0.07 2.87 0.56 0.00 -1.26 -4.99 105.19 103.08 1vdd n GLY 19 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 1vdd n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vdd s ILE 20 N -2.54 -0.54 0.62 -0.61 1.01 -1.21 -5.11 121.20 112.83 1vdd s ILE 20 Ca 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1vdd s ILE 20 Cb 0.00 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1vdd s ILE 20 CO 0.00 -0.38 0.94 -0.83 0.00 0.00 0.00 174.94 174.67 1vdd s GLY 21 N 2.08 1.62 0.16 6.18 0.00 -1.26 -4.41 107.32 111.70 1vdd s GLY 21 Ca 0.13 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 1vdd s GLY 21 CO -0.20 -0.38 1.17 -1.05 0.00 0.00 0.00 173.10 172.65 1vdd n PRO 22 N -2.68 -0.21 -0.27 2.90 -0.02 -1.26 0.81 135.00 134.26 1vdd n PRO 22 Ca 0.05 1.16 -0.01 0.00 -2.02 0.00 0.00 63.50 62.68 1vdd n PRO 22 Cb 0.58 -1.72 0.11 0.00 -0.02 0.00 0.00 33.50 32.45 1vdd n PRO 22 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1vdd h LYS 23 N 0.00 0.85 0.00 -0.52 3.64 -1.99 -1.61 116.57 116.94 1vdd h LYS 23 Ca 0.23 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1vdd h LYS 23 Cb 0.42 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1vdd h LYS 23 CO -0.74 0.56 -0.53 1.03 -2.27 0.00 0.00 179.45 177.49 1vdd h SER 24 N 0.87 0.00 -0.24 4.20 0.87 0.05 -2.18 113.55 117.13 1vdd h SER 24 Ca 0.32 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1vdd h SER 24 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1vdd h SER 24 CO -0.15 0.53 -0.09 0.00 -0.53 0.00 0.00 176.83 176.59 1vdd h ALA 25 N 1.47 0.33 -0.13 6.23 0.00 0.11 -0.67 119.26 126.60 1vdd h ALA 25 Ca -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1vdd h ALA 25 Cb 1.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1vdd h ALA 25 CO 0.07 0.16 0.06 0.37 0.00 0.00 0.00 179.25 179.91 1vdd h GLN 26 N 0.20 0.18 -1.00 0.00 4.15 -1.28 0.36 115.11 117.73 1vdd h GLN 26 Ca 0.06 -0.03 0.22 0.00 0.77 0.00 0.00 58.65 59.67 1vdd h GLN 26 Cb 0.57 -0.03 -0.11 0.00 0.21 0.00 0.00 27.48 28.12 1vdd h GLN 26 CO 0.03 0.24 0.61 -0.09 -1.93 0.00 0.00 178.83 177.69 1vdd h ARG 27 N 0.08 0.61 -0.04 1.69 2.43 -1.28 -0.21 114.38 117.66 1vdd h ARG 27 Ca 0.04 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 1vdd h ARG 27 Cb 0.12 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1vdd h ARG 27 CO -0.01 0.41 -0.88 1.25 -1.51 0.00 0.00 179.97 179.24 1vdd h LEU 28 N 0.63 0.59 -0.68 3.80 5.85 0.50 -3.18 115.31 122.82 1vdd h LEU 28 Ca 0.60 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 1vdd h LEU 28 Cb 1.11 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1vdd h LEU 28 CO -0.39 1.22 -0.12 0.00 -0.34 0.00 0.00 178.44 178.82 1vdd h ALA 29 N 0.75 0.88 0.00 1.25 0.00 0.14 -2.35 119.26 119.93 1vdd h ALA 29 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1vdd h ALA 29 Cb 1.49 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1vdd h ALA 29 CO 0.16 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.24 1vdd n PHE 30 N -4.15 0.00 -0.06 0.00 0.99 -0.67 -2.36 117.46 111.21 1vdd n PHE 30 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.33 1vdd n PHE 30 Cb 0.39 -0.34 -0.14 0.00 -1.00 0.00 0.00 39.48 38.38 1vdd n PHE 30 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 1vdd n HIS 31 N -1.34 0.59 0.21 1.38 -0.00 -1.00 -3.94 115.22 111.12 1vdd n HIS 31 Ca 0.09 0.18 0.08 0.00 -0.00 0.00 0.00 57.72 58.07 1vdd n HIS 31 Cb 0.20 -1.10 0.47 0.00 -0.00 0.00 0.00 29.99 29.56 1vdd n HIS 31 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1vdd h LEU 32 N 0.01 0.00 -0.40 0.27 3.38 -1.13 -2.85 115.31 114.59 1vdd h LEU 32 Ca -0.44 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 1vdd h LEU 32 Cb 2.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 1vdd h LEU 32 CO 0.04 0.27 -0.17 0.15 0.09 0.00 0.00 178.44 178.82 1vdd h PHE 33 N 0.00 0.95 0.00 1.13 3.57 -1.61 -2.82 116.94 118.17 1vdd h PHE 33 Ca -0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1vdd h PHE 33 Cb 0.68 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1vdd h PHE 33 CO 0.00 0.99 0.00 0.39 -2.23 0.00 0.00 178.31 177.46 1vdd n GLU 34 N -4.25 0.08 -3.26 1.11 1.02 -1.08 -4.84 120.64 109.41 1vdd n GLU 34 Ca -0.01 0.12 -0.32 0.00 -0.02 0.00 0.00 57.16 56.92 1vdd n GLU 34 Cb 0.41 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 1vdd n GLU 34 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vdd s GLN 35 N -2.89 3.90 0.15 3.49 -1.52 -1.06 -5.05 119.66 116.67 1vdd s GLN 35 Ca 0.13 0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 53.71 1vdd s GLN 35 Cb 0.14 -2.53 -0.07 0.00 -0.22 0.00 0.00 33.01 30.33 1vdd s GLN 35 CO 0.38 0.23 1.21 -1.25 -0.25 0.00 0.00 175.29 175.60 1vdd s PRO 36 N -2.94 4.46 0.45 2.91 0.04 -1.26 -4.90 135.00 133.77 1vdd s PRO 36 Ca 0.51 1.86 0.40 0.00 0.04 0.00 0.00 61.00 63.81 1vdd s PRO 36 Cb -0.11 -3.27 1.42 0.00 0.04 0.00 0.00 34.50 32.58 1vdd s PRO 36 CO 0.20 -0.16 1.30 -2.13 0.04 0.00 0.00 177.00 176.25 1vdd n ARG 37 N 3.01 -0.00 -0.09 4.56 0.63 -1.26 0.32 116.66 123.82 1vdd n ARG 37 Ca 0.06 0.93 0.01 0.00 -0.92 0.00 0.00 57.85 57.93 1vdd n ARG 37 Cb 0.45 -2.09 0.31 0.00 0.45 0.00 0.00 32.46 31.58 1vdd n ARG 37 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1vdd h GLU 38 N 0.00 0.73 0.09 -0.14 3.07 -2.00 -2.24 114.58 114.09 1vdd h GLU 38 Ca 0.78 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.56 1vdd h GLU 38 Cb 3.04 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 30.80 1vdd h GLU 38 CO -0.07 0.55 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.61 1vdd h ASP 39 N 0.74 -0.10 -0.63 1.42 5.19 -0.50 -1.46 116.42 121.09 1vdd h ASP 39 Ca 0.19 -0.49 0.13 0.00 -0.62 0.00 0.00 57.03 56.24 1vdd h ASP 39 Cb 0.04 0.03 -0.11 0.00 0.18 0.00 0.00 39.33 39.47 1vdd h ASP 39 CO -0.03 0.51 -0.04 0.40 -3.12 0.00 0.00 179.24 176.96 1vdd h ILE 40 N -0.78 0.45 0.12 0.35 1.08 -1.59 0.74 117.51 117.88 1vdd h ILE 40 Ca -0.01 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1vdd h ILE 40 Cb 0.59 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1vdd h ILE 40 CO 0.02 0.01 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.09 1vdd h GLU 41 N 0.08 -0.18 -0.07 2.37 5.08 -1.45 0.15 114.58 120.57 1vdd h GLU 41 Ca 0.32 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1vdd h GLU 41 Cb 0.52 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1vdd h GLU 41 CO -0.57 -0.12 0.03 -0.09 -1.00 0.00 0.00 179.01 177.26 1vdd h ARG 42 N -0.18 0.09 0.06 2.33 2.43 0.27 0.63 114.38 120.01 1vdd h ARG 42 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1vdd h ARG 42 Cb 0.15 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1vdd h ARG 42 CO 0.01 0.07 -0.03 1.25 -1.51 0.00 0.00 179.97 179.77 1vdd h LEU 43 N 0.09 -0.06 -0.03 3.80 6.46 0.91 -1.11 115.31 125.37 1vdd h LEU 43 Ca 0.02 -0.47 0.03 0.00 -0.12 0.00 0.00 57.88 57.35 1vdd h LEU 43 Cb 0.01 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 1vdd h LEU 43 CO -0.00 0.45 -0.18 0.00 -0.62 0.00 0.00 178.44 178.09 1vdd h ALA 44 N 0.28 -0.20 -0.21 1.25 0.00 0.52 -0.96 119.26 119.93 1vdd h ALA 44 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1vdd h ALA 44 Cb 0.53 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1vdd h ALA 44 CO 0.01 -0.67 0.06 0.66 0.00 0.00 0.00 179.25 179.32 1vdd h SER 45 N -0.28 0.05 -0.78 0.00 4.64 0.16 -0.86 113.55 116.48 1vdd h SER 45 Ca 0.06 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 61.55 1vdd h SER 45 Cb 0.37 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.39 1vdd h SER 45 CO -0.19 0.06 0.35 0.00 -0.87 0.00 0.00 176.83 176.18 1vdd h ALA 46 N 1.14 1.12 0.74 5.18 0.00 -0.81 1.07 119.26 127.69 1vdd h ALA 46 Ca 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1vdd h ALA 46 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1vdd h ALA 46 CO -0.11 -0.15 -0.41 -0.07 0.00 0.00 0.00 179.25 178.52 1vdd h LEU 47 N 0.52 -1.00 0.08 0.00 3.38 -0.50 -2.62 115.31 115.18 1vdd h LEU 47 Ca 0.42 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 1vdd h LEU 47 Cb 0.60 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1vdd h LEU 47 CO -0.37 -0.65 -0.04 -0.07 0.09 0.00 0.00 178.44 177.40 1vdd h LEU 48 N -1.06 -0.10 0.00 1.67 3.38 -0.20 -2.24 115.31 116.77 1vdd h LEU 48 Ca -0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1vdd h LEU 48 Cb 0.84 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1vdd h LEU 48 CO 0.13 -0.02 0.00 -0.62 0.09 0.00 0.00 178.44 178.02 1vdd n GLU 49 N -5.12 0.00 -0.34 1.13 1.02 0.36 -1.85 120.64 115.85 1vdd n GLU 49 Ca -0.08 0.75 0.12 0.00 -0.02 0.00 0.00 57.16 57.92 1vdd n GLU 49 Cb 0.09 -1.36 0.24 0.00 -0.02 0.00 0.00 31.44 30.40 1vdd n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vdd h ALA 50 N -1.44 1.02 -0.18 0.62 0.00 -1.48 1.12 119.26 118.92 1vdd h ALA 50 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.30 1vdd h ALA 50 Cb 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1vdd h ALA 50 CO 0.00 -0.51 0.14 -0.22 0.00 0.00 0.00 179.25 178.65 1vdd h LYS 51 N 0.02 0.00 0.00 0.00 3.11 -0.72 0.45 116.57 119.42 1vdd h LYS 51 Ca 0.55 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.34 1vdd h LYS 51 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 1vdd h LYS 51 CO -0.92 0.00 -0.49 -0.09 -2.81 0.00 0.00 179.45 175.14 1vdd h ARG 52 N 0.00 0.00 0.00 1.90 2.43 0.20 -3.39 114.38 115.52 1vdd h ARG 52 Ca 0.08 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1vdd h ARG 52 Cb 0.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1vdd h ARG 52 CO -0.00 0.40 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.14 1vdd h ASP 53 N -1.00 0.00 -3.26 -3.80 3.32 -0.90 -3.44 116.42 107.34 1vdd h ASP 53 Ca -0.09 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.39 1vdd h ASP 53 Cb 0.65 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1vdd h ASP 53 CO -0.05 0.28 0.51 -0.76 -1.72 0.00 0.00 179.24 177.49 1vdd s LEU 54 N -7.81 4.19 0.19 1.55 1.02 0.16 -4.16 118.68 113.83 1vdd s LEU 54 Ca -0.02 1.34 -0.07 0.00 0.02 0.00 0.00 54.13 55.39 1vdd s LEU 54 Cb 0.14 -3.39 -0.02 0.00 0.02 0.00 0.00 46.19 42.94 1vdd s LEU 54 CO 0.68 -0.45 0.28 -1.38 0.02 0.00 0.00 176.35 175.50 1vdd s HIS 55 N 2.21 0.62 0.20 0.29 -3.43 -0.45 -4.87 115.29 109.85 1vdd s HIS 55 Ca 0.43 -0.95 -0.24 0.00 -0.80 0.00 0.00 55.06 53.50 1vdd s HIS 55 Cb -0.17 -0.15 -0.08 0.00 -1.43 0.00 0.00 32.58 30.75 1vdd s HIS 55 CO 0.14 -0.76 0.78 0.54 -2.00 0.00 0.00 174.74 173.45 1vdd s VAL 56 N -4.04 4.39 0.30 -5.38 0.11 -1.26 -1.57 120.40 112.96 1vdd s VAL 56 Ca 0.25 1.63 -0.29 0.00 -2.93 0.00 0.00 61.98 60.63 1vdd s VAL 56 Cb 0.04 -4.07 -0.10 0.00 -1.53 0.00 0.00 36.38 30.72 1vdd s VAL 56 CO 0.05 0.42 1.34 0.00 -3.33 0.00 0.00 175.10 173.58 1vdd h PRO 58 N 3.89 0.45 0.00 0.00 0.13 -1.91 -3.31 132.00 131.24 1vdd h PRO 58 Ca -0.48 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1vdd h PRO 58 Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1vdd h PRO 58 CO 0.69 0.77 0.00 -0.89 -0.23 0.00 0.00 178.00 178.34 1vdd n ILE 59 N -4.04 0.00 -2.78 -3.56 2.08 -1.26 -4.84 119.36 104.96 1vdd n ILE 59 Ca -0.01 0.26 -0.22 0.00 0.56 0.00 0.00 62.75 63.34 1vdd n ILE 59 Cb 0.49 -0.52 0.03 0.00 -0.75 0.00 0.00 39.64 38.89 1vdd n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vdd n PHE 61 N -2.23 3.05 -2.68 0.00 3.01 -1.25 -3.91 117.46 113.45 1vdd n PHE 61 Ca 0.05 -2.65 -0.37 0.00 1.01 0.00 0.00 57.45 55.49 1vdd n PHE 61 Cb 0.59 -0.79 -0.06 0.00 -0.01 0.00 0.00 39.48 39.21 1vdd n PHE 61 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1vdd s ASN 62 N -2.64 7.16 0.20 4.37 2.47 -1.26 -4.35 114.94 120.88 1vdd s ASN 62 Ca 0.55 1.94 -0.30 0.00 0.42 0.00 0.00 52.86 55.47 1vdd s ASN 62 Cb 0.45 -2.59 -0.09 0.00 -1.45 0.00 0.00 41.25 37.57 1vdd s ASN 62 CO -0.08 -0.20 1.37 -0.63 -3.72 0.00 0.00 177.10 173.84 1vdd s ILE 63 N -1.59 3.04 0.09 -5.21 1.01 -1.26 -1.64 121.20 115.64 1vdd s ILE 63 Ca 0.52 0.84 -0.03 0.00 0.00 0.00 0.00 60.65 61.98 1vdd s ILE 63 Cb -0.21 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1vdd s ILE 63 CO 0.26 0.11 0.16 0.35 0.00 0.00 0.00 174.94 175.83 1vdd n THR 64 N 2.83 0.00 -0.86 2.92 -2.24 -0.61 -4.89 114.28 111.43 1vdd n THR 64 Ca 0.08 -0.27 0.01 0.00 -2.27 0.00 0.00 64.05 61.60 1vdd n THR 64 Cb 0.42 0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 1vdd n THR 64 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vdd n ASP 65 N -1.33 0.95 0.00 3.42 3.85 -1.26 -1.34 116.55 120.84 1vdd n ASP 65 Ca -0.02 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 1vdd n ASP 65 Cb 0.14 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 1vdd n ASP 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1vdd n ALA 66 N -0.35 0.00 0.06 2.12 0.00 -1.26 -5.00 120.51 116.07 1vdd n ALA 66 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1vdd n ALA 66 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 1vdd n ALA 66 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vdd h GLU 67 N 0.00 0.32 -5.68 0.00 5.08 -2.00 -3.46 114.58 108.85 1vdd h GLU 67 Ca 0.00 -0.55 -0.47 0.00 -1.00 0.00 0.00 59.36 57.34 1vdd h GLU 67 Cb 0.00 0.20 -0.20 0.00 0.50 0.00 0.00 28.75 29.26 1vdd h GLU 67 CO 0.00 1.26 -0.78 0.15 -1.00 0.00 0.00 179.01 178.64 1vdd s LYS 68 N -2.45 1.06 0.78 2.33 3.01 -1.26 -4.39 119.74 118.81 1vdd s LYS 68 Ca -0.13 -1.20 -0.12 0.00 -1.01 0.00 0.00 55.97 53.51 1vdd s LYS 68 Cb 0.01 -1.08 0.06 0.00 -1.01 0.00 0.00 37.83 35.81 1vdd s LYS 68 CO 0.84 0.23 1.13 0.00 0.51 0.00 0.00 175.35 178.06 1vdd h ASP 70 N -0.92 0.00 -0.11 0.00 3.58 -1.96 0.22 116.42 117.24 1vdd h ASP 70 Ca -0.45 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 56.94 1vdd h ASP 70 Cb 1.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1vdd h ASP 70 CO 0.49 0.00 -0.17 0.58 -2.88 0.00 0.00 179.24 177.26 1vdd h VAL 71 N 0.00 1.38 -0.31 2.25 2.07 -1.93 -1.04 116.25 118.67 1vdd h VAL 71 Ca 0.14 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1vdd h VAL 71 Cb 0.57 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1vdd h VAL 71 CO -0.00 0.40 0.17 0.00 0.02 0.00 0.00 177.57 178.16 1vdd h ALA 73 N 1.03 -1.23 -0.69 0.00 0.00 -1.01 -3.44 119.26 113.92 1vdd h ALA 73 Ca 0.11 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.21 1vdd h ALA 73 Cb 0.07 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1vdd h ALA 73 CO -0.02 -1.16 0.42 -3.47 0.00 0.00 0.00 179.25 175.02 1vdd n ASP 74 N -4.65 0.72 0.13 0.00 -0.08 -0.40 -4.86 116.55 107.42 1vdd n ASP 74 Ca -0.12 0.82 0.12 0.00 -1.51 0.00 0.00 54.79 54.10 1vdd n ASP 74 Cb 0.38 -0.61 0.13 0.00 2.34 0.00 0.00 41.12 43.36 1vdd n ASP 74 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1vdd h PRO 75 N 3.27 0.00 -0.00 -0.67 0.13 -1.88 -3.31 132.00 129.54 1vdd h PRO 75 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1vdd h PRO 75 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1vdd h PRO 75 CO 0.65 0.00 -0.09 -1.13 -0.23 0.00 0.00 178.00 177.19 1vdd n SER 76 N -2.63 0.36 -4.72 1.44 3.41 -1.26 -4.85 113.62 105.36 1vdd n SER 76 Ca 0.03 -0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 57.77 1vdd n SER 76 Cb 0.51 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1vdd n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vdd s ARG 77 N -2.52 4.62 -0.54 4.33 0.52 -1.25 -4.94 118.95 119.18 1vdd s ARG 77 Ca 0.28 1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 56.56 1vdd s ARG 77 Cb 0.20 -3.40 -0.11 0.00 0.52 0.00 0.00 34.95 32.16 1vdd s ARG 77 CO 0.48 0.14 2.41 -3.47 0.02 0.00 0.00 175.30 174.88 1vdd n ASP 78 N 3.15 1.91 0.00 0.23 2.03 -0.39 -4.77 116.55 118.70 1vdd n ASP 78 Ca 0.03 -0.07 0.09 0.00 0.52 0.00 0.00 54.79 55.35 1vdd n ASP 78 Cb 0.50 -1.36 0.51 0.00 -0.72 0.00 0.00 41.12 40.06 1vdd n ASP 78 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1vdd n GLN 79 N 8.67 0.69 0.00 -0.67 -0.06 -1.26 -3.48 117.38 121.27 1vdd n GLN 79 Ca 0.44 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 55.52 1vdd n GLN 79 Cb 0.35 -1.39 0.05 0.00 -4.06 0.00 0.00 30.24 25.18 1vdd n GLN 79 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1vdd n ARG 80 N -0.89 1.42 -4.93 3.69 1.85 -1.26 -4.95 116.66 111.59 1vdd n ARG 80 Ca 0.13 -1.26 -0.28 0.00 -1.00 0.00 0.00 57.85 55.44 1vdd n ARG 80 Cb 0.06 -1.30 -0.17 0.00 -1.05 0.00 0.00 32.46 30.01 1vdd n ARG 80 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1vdd s THR 81 N -1.52 1.62 -0.16 8.89 -4.23 -1.23 -1.55 115.64 117.46 1vdd s THR 81 Ca 0.17 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 1vdd s THR 81 Cb 0.13 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1vdd s THR 81 CO 0.26 0.46 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.01 1vdd s ILE 82 N 0.38 2.51 -0.47 2.99 1.01 0.03 -0.28 121.20 127.37 1vdd s ILE 82 Ca -0.14 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 1vdd s ILE 82 Cb -0.16 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.36 1vdd s ILE 82 CO 0.06 0.52 0.38 0.00 0.00 0.00 0.00 174.94 175.89 1vdd s VAL 84 N 1.53 4.11 0.08 0.00 1.01 0.17 -1.70 120.40 125.59 1vdd s VAL 84 Ca 0.04 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1vdd s VAL 84 Cb -0.26 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1vdd s VAL 84 CO 0.03 0.21 -0.06 -0.69 0.00 0.00 0.00 175.10 174.59 1vdd s VAL 85 N 0.36 0.57 -0.00 2.92 1.01 0.82 -0.81 120.40 125.26 1vdd s VAL 85 Ca 0.52 -1.70 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 1vdd s VAL 85 Cb -0.28 -1.39 -0.23 0.00 0.00 0.00 0.00 36.38 34.49 1vdd s VAL 85 CO 0.32 -0.78 1.11 -0.33 0.00 0.00 0.00 175.10 175.42 1vdd h GLU 86 N 3.37 0.37 -4.54 2.72 5.08 -1.78 -0.72 114.58 119.08 1vdd h GLU 86 Ca -0.35 -0.38 -0.28 0.00 -1.00 0.00 0.00 59.36 57.35 1vdd h GLU 86 Cb 1.17 0.10 -0.22 0.00 0.50 0.00 0.00 28.75 30.30 1vdd h GLU 86 CO 0.59 1.05 -0.74 -1.21 -1.00 0.00 0.00 179.01 177.71 1vdd s GLU 87 N -3.28 0.52 0.61 2.33 8.01 -1.26 -1.99 118.70 123.64 1vdd s GLU 87 Ca -0.14 -0.71 0.29 0.00 0.01 0.00 0.00 54.97 54.43 1vdd s GLU 87 Cb 0.03 -0.30 1.58 0.00 -4.31 0.00 0.00 34.13 31.13 1vdd s GLU 87 CO 0.80 0.05 1.96 -1.00 0.01 0.00 0.00 175.26 177.09 1vdd h PRO 88 N 4.62 0.00 0.00 0.39 0.13 -1.91 0.41 132.00 135.65 1vdd h PRO 88 Ca -0.35 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 1vdd h PRO 88 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1vdd h PRO 88 CO 0.41 0.00 -0.41 0.78 -0.23 0.00 0.00 178.00 178.55 1vdd h GLY 89 N 0.00 0.00 1.97 1.56 0.00 -2.00 -2.29 103.07 102.31 1vdd h GLY 89 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1vdd h GLY 89 CO -0.00 0.00 -0.48 -0.55 0.00 0.00 0.00 176.54 175.51 1vdd h ASP 90 N 0.00 0.04 -0.73 0.19 3.32 -0.58 -1.42 116.42 117.23 1vdd h ASP 90 Ca -0.00 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1vdd h ASP 90 Cb 0.79 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1vdd h ASP 90 CO 0.05 0.51 0.35 0.58 -1.72 0.00 0.00 179.24 179.02 1vdd h VAL 91 N 0.03 1.24 0.08 -1.35 2.07 -1.40 0.26 116.25 117.18 1vdd h VAL 91 Ca -0.00 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1vdd h VAL 91 Cb 0.86 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1vdd h VAL 91 CO 0.06 0.28 -0.04 0.40 0.02 0.00 0.00 177.57 178.29 1vdd h ILE 92 N 1.02 1.08 -0.48 4.57 1.08 -1.38 0.39 117.51 123.79 1vdd h ILE 92 Ca 0.25 -0.59 0.09 0.00 -0.39 0.00 0.00 64.86 64.22 1vdd h ILE 92 Cb 0.12 1.46 -0.08 0.00 -3.07 0.00 0.00 36.82 35.25 1vdd h ILE 92 CO -0.03 0.15 -0.01 0.00 -0.69 0.00 0.00 178.15 177.56 1vdd h ALA 93 N 0.51 0.44 0.00 1.87 0.00 -0.90 0.67 119.26 121.84 1vdd h ALA 93 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vdd h ALA 93 Cb 0.32 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1vdd h ALA 93 CO 0.02 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.16 1vdd n LEU 94 N -5.24 0.00 -0.11 0.00 4.77 0.87 -2.99 117.00 114.31 1vdd n LEU 94 Ca 0.05 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 1vdd n LEU 94 Cb 0.26 -0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 40.99 1vdd n LEU 94 CO 0.16 -0.02 -1.13 1.21 -1.33 0.00 0.00 177.39 176.27 1vdd n GLU 95 N -1.24 0.63 0.00 3.23 4.07 0.83 -4.02 120.64 124.14 1vdd n GLU 95 Ca 0.14 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 1vdd n GLU 95 Cb 0.20 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 1vdd n GLU 95 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1vdd n ARG 96 N -3.89 0.76 0.00 5.31 5.12 0.20 -2.74 116.66 121.42 1vdd n ARG 96 Ca -0.44 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.61 1vdd n ARG 96 Cb 0.90 -1.03 0.39 0.00 -1.16 0.00 0.00 32.46 31.57 1vdd n ARG 96 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1vdd n SER 97 N -0.46 1.46 -4.25 0.55 2.88 -1.16 -4.98 113.62 107.66 1vdd n SER 97 Ca 0.00 -1.28 -0.34 0.00 -1.33 0.00 0.00 58.87 55.92 1vdd n SER 97 Cb 0.01 0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1vdd n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdd n GLY 98 N 1.28 -0.30 0.47 0.46 0.00 -1.11 -4.80 105.19 101.18 1vdd n GLY 98 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1vdd n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdd n GLU 99 N -4.38 0.00 -3.56 1.61 1.02 -1.26 -5.10 120.64 108.97 1vdd n GLU 99 Ca -0.11 -0.20 -0.07 0.00 -0.02 0.00 0.00 57.16 56.75 1vdd n GLU 99 Cb 0.58 -0.10 -0.08 0.00 -0.02 0.00 0.00 31.44 31.82 1vdd n GLU 99 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1vdd s TYR 100 N 0.00 -0.92 -0.18 -0.32 5.04 -1.26 -5.02 117.35 114.69 1vdd s TYR 100 Ca 0.00 1.50 0.16 0.00 -2.44 0.00 0.00 57.07 56.30 1vdd s TYR 100 Cb 0.00 0.33 0.44 0.00 0.35 0.00 0.00 41.96 43.08 1vdd s TYR 100 CO 0.00 -0.58 1.32 2.89 -1.34 0.00 0.00 175.55 177.85 1vdd n ARG 101 N 5.40 2.17 -0.03 4.97 1.85 -1.26 -4.90 116.66 124.86 1vdd n ARG 101 Ca -0.07 -2.81 0.00 0.00 -1.00 0.00 0.00 57.85 53.96 1vdd n ARG 101 Cb 0.50 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 1vdd n ARG 101 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vdd n GLY 102 N -0.93 0.10 3.93 2.89 0.00 -1.26 -1.26 105.19 108.65 1vdd n GLY 102 Ca 0.21 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 1vdd n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vdd s LEU 103 N 0.00 4.23 0.38 0.99 1.43 0.61 -4.76 118.68 121.56 1vdd s LEU 103 Ca 0.00 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 1vdd s LEU 103 Cb 0.00 -3.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.01 1vdd s LEU 103 CO 0.00 -0.05 0.09 -0.31 0.23 0.00 0.00 176.35 176.31 1vdd s TYR 104 N -1.89 2.57 -0.11 0.29 1.51 -1.26 -0.72 117.35 117.74 1vdd s TYR 104 Ca 0.38 -0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1vdd s TYR 104 Cb -0.11 -1.75 0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1vdd s TYR 104 CO 0.29 0.34 0.26 -1.58 -1.11 0.00 0.00 175.55 173.76 1vdd s HIS 105 N -2.59 -0.35 -0.35 2.71 2.46 -0.69 -4.70 115.29 111.79 1vdd s HIS 105 Ca 0.38 0.83 -0.02 0.00 0.47 0.00 0.00 55.06 56.71 1vdd s HIS 105 Cb 0.03 0.07 0.08 0.00 -0.13 0.00 0.00 32.58 32.64 1vdd s HIS 105 CO 0.21 -0.23 0.09 0.08 -2.47 0.00 0.00 174.74 172.41 1vdd s VAL 106 N 1.17 3.04 -0.03 0.89 1.01 -1.26 -0.13 120.40 125.09 1vdd s VAL 106 Ca -0.08 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 59.84 1vdd s VAL 106 Cb -0.09 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1vdd s VAL 106 CO -0.08 -0.40 1.16 -0.76 0.00 0.00 0.00 175.10 175.02 1vdd s LEU 107 N 1.17 4.30 -0.51 3.92 1.43 -0.28 -4.48 118.68 124.24 1vdd s LEU 107 Ca 0.02 1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 54.86 1vdd s LEU 107 Cb -0.21 -3.56 -0.19 0.00 0.03 0.00 0.00 46.19 42.26 1vdd s LEU 107 CO -0.03 -0.52 3.36 1.41 0.23 0.00 0.00 176.35 180.81 1vdd n HIS 108 N 4.79 0.83 -3.20 0.29 8.25 -1.26 -4.14 115.22 120.79 1vdd n HIS 108 Ca 0.10 -2.00 0.00 0.00 -0.26 0.00 0.00 57.72 55.55 1vdd n HIS 108 Cb 0.47 -1.84 0.00 0.00 1.12 0.00 0.00 29.99 29.74 1vdd n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vdd n GLY 109 N 2.68 -0.20 3.09 -1.41 0.00 -0.84 -4.95 105.19 103.56 1vdd n GLY 109 Ca 0.54 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 1vdd n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vdd s VAL 110 N -3.00 0.74 0.92 1.61 1.01 -1.26 -4.63 120.40 115.79 1vdd s VAL 110 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 1vdd s VAL 110 Cb 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 36.38 35.77 1vdd s VAL 110 CO 0.00 -0.26 1.10 -0.76 0.00 0.00 0.00 175.10 175.18 1vdd s LEU 111 N -1.47 2.44 -0.33 3.92 1.43 -1.26 -4.99 118.68 118.42 1vdd s LEU 111 Ca -0.06 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 1vdd s LEU 111 Cb -0.09 -4.23 0.19 0.00 0.03 0.00 0.00 46.19 42.08 1vdd s LEU 111 CO 0.01 -2.94 0.98 -0.94 0.23 0.00 0.00 176.35 173.69 1vdd s SER 112 N -2.97 -0.53 0.41 2.29 1.04 -1.12 -4.77 113.70 108.04 1vdd s SER 112 Ca 0.65 -0.20 0.17 0.00 0.48 0.00 0.00 55.95 57.05 1vdd s SER 112 Cb -0.21 0.82 1.06 0.00 0.10 0.00 0.00 66.02 67.79 1vdd s SER 112 CO 0.58 -0.07 1.83 1.55 0.98 0.00 0.00 173.24 178.12 1vdd h PRO 113 N 6.04 0.42 -0.43 4.02 0.13 -1.96 -2.49 132.00 137.72 1vdd h PRO 113 Ca -0.04 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.15 1vdd h PRO 113 Cb 1.22 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1vdd h PRO 113 CO -0.05 0.28 -0.10 0.52 -0.23 0.00 0.00 178.00 178.42 1vdd h MET 114 N 0.43 0.01 -1.03 0.86 2.86 -1.96 -2.73 114.93 113.37 1vdd h MET 114 Ca 0.50 -0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.57 1vdd h MET 114 Cb 1.22 -0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.59 1vdd h MET 114 CO -0.21 0.00 0.73 0.09 1.06 0.00 0.00 176.91 178.58 1vdd n ASN 115 N -5.31 5.68 -0.02 1.22 3.02 -0.95 -4.88 115.26 114.01 1vdd n ASN 115 Ca 0.03 -3.62 -0.00 0.00 -0.03 0.00 0.00 54.58 50.96 1vdd n ASN 115 Cb 0.23 -0.91 -0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1vdd n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vdd n GLY 116 N -0.92 0.02 3.59 7.41 0.00 -1.03 -4.85 105.19 109.41 1vdd n GLY 116 Ca 0.58 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 1vdd n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vdd s VAL 117 N -0.60 3.90 0.49 1.61 1.01 -1.15 -4.98 120.40 120.67 1vdd s VAL 117 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1vdd s VAL 117 Cb 0.00 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1vdd s VAL 117 CO 0.00 -1.06 0.02 -0.83 0.00 0.00 0.00 175.10 173.23 1vdd s GLY 118 N 3.86 2.89 0.00 4.51 0.00 -1.26 -2.79 107.32 114.52 1vdd s GLY 118 Ca 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1vdd s GLY 118 CO 0.28 -2.16 0.00 -1.55 0.00 0.00 0.00 173.10 169.67 1vdd n PRO 119 N -1.23 0.00 0.00 2.90 -0.04 -1.26 0.25 135.00 135.62 1vdd n PRO 119 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1vdd n PRO 119 Cb 0.67 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1vdd n PRO 119 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vdd n ASP 120 N 0.93 0.86 -0.30 3.54 9.92 -1.26 -4.49 116.55 125.75 1vdd n ASP 120 Ca 0.00 -0.24 0.11 0.00 -0.53 0.00 0.00 54.79 54.13 1vdd n ASP 120 Cb 0.00 0.65 -0.05 0.00 -0.64 0.00 0.00 41.12 41.08 1vdd n ASP 120 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1vdd n LYS 121 N -0.74 0.76 -4.72 -1.24 5.02 0.14 -4.90 118.16 112.49 1vdd n LYS 121 Ca 0.00 -0.61 -0.29 0.00 -2.02 0.00 0.00 58.31 55.39 1vdd n LYS 121 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1vdd n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vdd s LEU 122 N -2.68 2.21 -0.14 -0.35 1.43 -1.23 -4.79 118.68 113.13 1vdd s LEU 122 Ca 0.14 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1vdd s LEU 122 Cb 0.17 -1.20 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 1vdd s LEU 122 CO 0.69 0.22 1.74 1.41 0.23 0.00 0.00 176.35 180.63 1vdd n HIS 123 N 1.55 0.21 0.06 0.29 8.25 -1.26 -4.33 115.22 119.99 1vdd n HIS 123 Ca -0.17 -0.80 -0.09 0.00 -0.26 0.00 0.00 57.72 56.40 1vdd n HIS 123 Cb 0.52 -0.98 -0.13 0.00 1.12 0.00 0.00 29.99 30.53 1vdd n HIS 123 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vdd h ILE 124 N 2.83 1.61 0.97 1.59 2.04 -1.93 -3.37 117.51 121.25 1vdd h ILE 124 Ca 0.14 -3.30 -0.05 0.00 1.00 0.00 0.00 64.86 62.64 1vdd h ILE 124 Cb 0.49 2.84 0.01 0.00 -0.74 0.00 0.00 36.82 39.41 1vdd h ILE 124 CO 0.60 0.93 -0.47 0.50 0.00 0.00 0.00 178.15 179.71 1vdd h LYS 125 N 0.01 -1.26 0.00 2.37 3.64 -1.80 -2.89 116.57 116.64 1vdd h LYS 125 Ca -0.06 0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1vdd h LYS 125 Cb 1.83 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1vdd h LYS 125 CO 0.14 -0.84 0.02 -0.35 -2.27 0.00 0.00 179.45 176.15 1vdd n PRO 126 N -5.61 0.00 -0.07 1.90 -0.04 -1.26 -1.73 135.00 128.20 1vdd n PRO 126 Ca -0.16 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.15 1vdd n PRO 126 Cb 0.51 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 1vdd n PRO 126 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1vdd h LEU 127 N 0.00 0.12 -0.88 1.53 7.12 -1.68 -3.38 115.31 118.14 1vdd h LEU 127 Ca 0.00 -0.68 0.08 0.00 0.13 0.00 0.00 57.88 57.41 1vdd h LEU 127 Cb 0.04 -0.04 -0.11 0.00 -0.53 0.00 0.00 40.66 40.02 1vdd h LEU 127 CO 0.00 1.51 -0.58 -0.07 -0.13 0.00 0.00 178.44 179.17 1vdd h LEU 128 N -0.74 -2.10 -2.26 2.25 3.38 -1.41 0.30 115.31 114.74 1vdd h LEU 128 Ca -0.31 0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1vdd h LEU 128 Cb 1.44 0.92 -0.01 0.00 0.09 0.00 0.00 40.66 43.10 1vdd h LEU 128 CO -0.10 -0.26 0.20 1.55 0.09 0.00 0.00 178.44 179.92 1vdd h PRO 129 N -0.07 0.00 0.00 1.13 0.13 -1.78 -0.01 132.00 131.39 1vdd h PRO 129 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1vdd h PRO 129 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1vdd h PRO 129 CO -0.87 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 176.90 1vdd h ARG 130 N 0.00 0.00 -5.64 0.86 3.08 -0.59 -3.44 114.38 108.65 1vdd h ARG 130 Ca 0.08 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.53 1vdd h ARG 130 Cb 0.48 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.43 1vdd h ARG 130 CO -0.00 0.00 0.04 0.08 -1.07 0.00 0.00 179.97 179.02 1vdd s VAL 131 N -3.34 5.06 0.00 2.04 1.01 -0.02 -5.04 120.40 120.11 1vdd s VAL 131 Ca 0.05 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1vdd s VAL 131 Cb 0.06 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1vdd s VAL 131 CO 0.63 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.49 1vdd n GLY 132 N 3.77 4.37 3.89 4.51 0.00 -1.26 -4.86 105.19 115.61 1vdd n GLY 132 Ca -0.03 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1vdd n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vdd s GLN 133 N -1.57 3.68 -0.63 1.61 -0.21 -1.26 -3.47 119.66 117.81 1vdd s GLN 133 Ca 0.00 0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1vdd s GLN 133 Cb 0.00 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.58 1vdd s GLN 133 CO 0.00 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 1vdd n GLY 134 N -1.54 0.59 3.32 3.09 0.00 -1.25 -4.96 105.19 104.44 1vdd n GLY 134 Ca 0.01 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 1vdd n GLY 134 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vdd s MET 135 N -3.20 1.28 -0.03 1.61 -1.94 -1.25 -4.93 119.30 110.85 1vdd s MET 135 Ca 0.00 -1.60 0.05 0.00 -1.71 0.00 0.00 55.69 52.43 1vdd s MET 135 Cb 0.00 -0.84 -0.01 0.00 2.01 0.00 0.00 34.83 35.99 1vdd s MET 135 CO 0.00 0.06 -0.17 -2.00 -0.01 0.00 0.00 175.02 172.90 1vdd s GLU 136 N -3.74 1.54 -0.33 2.03 2.12 -0.60 -0.36 118.70 119.36 1vdd s GLU 136 Ca 0.23 -0.60 -0.01 0.00 0.36 0.00 0.00 54.97 54.95 1vdd s GLU 136 Cb 0.03 -1.42 0.07 0.00 0.26 0.00 0.00 34.13 33.07 1vdd s GLU 136 CO 0.06 0.31 0.06 0.08 -0.54 0.00 0.00 175.26 175.22 1vdd s VAL 137 N -0.19 2.97 -0.16 3.70 1.01 0.25 -0.79 120.40 127.19 1vdd s VAL 137 Ca 0.02 -1.68 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 1vdd s VAL 137 Cb -0.09 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1vdd s VAL 137 CO 0.01 -0.32 0.72 -0.63 0.00 0.00 0.00 175.10 174.87 1vdd s ILE 138 N 1.18 4.98 -0.45 2.22 1.01 0.46 -0.67 121.20 129.92 1vdd s ILE 138 Ca 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 60.65 61.86 1vdd s ILE 138 Cb -0.21 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.27 1vdd s ILE 138 CO -0.03 0.11 0.56 -0.76 0.00 0.00 0.00 174.94 174.82 1vdd s LEU 139 N 1.76 4.81 -0.38 2.97 1.43 0.40 -0.66 118.68 129.02 1vdd s LEU 139 Ca 0.34 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1vdd s LEU 139 Cb -0.16 -2.50 0.46 0.00 0.03 0.00 0.00 46.19 44.01 1vdd s LEU 139 CO 0.13 -0.74 1.41 0.00 0.23 0.00 0.00 176.35 177.37 1vdd n ALA 140 N 5.97 5.25 -1.78 4.21 0.00 0.01 -2.29 120.51 131.89 1vdd n ALA 140 Ca -0.05 -3.67 -0.29 0.00 0.00 0.00 0.00 53.44 49.42 1vdd n ALA 140 Cb 0.47 -0.69 0.08 0.00 0.00 0.00 0.00 19.45 19.31 1vdd n ALA 140 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vdd s THR 141 N -4.54 2.67 0.00 0.00 -4.23 -1.24 -4.46 115.64 103.84 1vdd s THR 141 Ca 0.54 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 1vdd s THR 141 Cb 0.43 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1vdd s THR 141 CO 0.02 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1vdd n GLY 142 N -2.84 -2.07 0.08 3.99 0.00 -1.26 -4.87 105.19 98.21 1vdd n GLY 142 Ca 0.07 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.41 1vdd n GLY 142 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vdd n THR 143 N -1.65 0.53 -1.73 2.61 -2.24 -1.26 -3.95 114.28 106.59 1vdd n THR 143 Ca 0.00 -0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 1vdd n THR 143 Cb 0.00 0.63 0.17 0.00 -2.10 0.00 0.00 70.33 69.03 1vdd n THR 143 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vdd s THR 144 N -0.64 1.94 0.54 4.28 -4.23 -1.26 -4.66 115.64 111.60 1vdd s THR 144 Ca 0.03 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.90 1vdd s THR 144 Cb 0.03 -2.88 0.38 0.00 1.34 0.00 0.00 72.50 71.37 1vdd s THR 144 CO 0.00 0.00 2.24 -0.37 -0.54 0.00 0.00 174.62 175.95 1vdd h VAL 145 N -1.65 0.29 0.32 2.29 -1.51 -1.98 0.12 116.25 114.12 1vdd h VAL 145 Ca -0.46 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 1vdd h VAL 145 Cb 1.28 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1vdd h VAL 145 CO 0.47 0.03 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.35 1vdd h GLU 146 N 0.00 -0.41 -0.71 5.19 4.39 -1.89 0.07 114.58 121.21 1vdd h GLU 146 Ca -0.00 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1vdd h GLU 146 Cb 0.12 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1vdd h GLU 146 CO 0.00 -0.08 0.28 0.78 -1.16 0.00 0.00 179.01 178.83 1vdd h GLY 147 N -0.92 1.13 0.96 -3.84 0.00 -1.61 0.21 103.07 99.01 1vdd h GLY 147 Ca -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1vdd h GLY 147 CO 0.07 0.57 0.14 -1.80 0.00 0.00 0.00 176.54 175.52 1vdd h ASP 148 N 1.03 0.70 -0.20 0.19 -0.00 -0.84 -2.02 116.42 115.28 1vdd h ASP 148 Ca 0.24 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.03 56.99 1vdd h ASP 148 Cb 0.20 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.34 1vdd h ASP 148 CO -0.02 0.73 -0.14 0.00 -0.00 0.00 0.00 179.24 179.81 1vdd h ALA 149 N 1.00 0.29 -0.27 -0.78 0.00 -0.53 -2.63 119.26 116.35 1vdd h ALA 149 Ca 0.15 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1vdd h ALA 149 Cb 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1vdd h ALA 149 CO -0.00 0.17 0.01 1.15 0.00 0.00 0.00 179.25 180.57 1vdd h THR 150 N 0.14 0.82 -0.13 0.00 2.02 -0.51 -1.21 112.91 114.03 1vdd h THR 150 Ca 0.04 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1vdd h THR 150 Cb 0.65 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1vdd h THR 150 CO 0.04 0.02 -0.09 0.00 0.37 0.00 0.00 175.52 175.86 1vdd h ALA 151 N 1.23 0.02 -0.28 6.16 0.00 -1.38 0.17 119.26 125.18 1vdd h ALA 151 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1vdd h ALA 151 Cb 0.16 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1vdd h ALA 151 CO -0.21 -0.54 0.07 -0.07 0.00 0.00 0.00 179.25 178.51 1vdd h LEU 152 N -0.09 0.36 -0.27 0.00 3.38 -1.22 0.45 115.31 117.93 1vdd h LEU 152 Ca 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1vdd h LEU 152 Cb 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1vdd h LEU 152 CO -0.19 0.37 -0.00 0.22 0.09 0.00 0.00 178.44 178.93 1vdd h TYR 153 N 0.40 0.52 -0.73 1.13 3.20 -0.18 -1.88 116.97 119.42 1vdd h TYR 153 Ca 0.10 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1vdd h TYR 153 Cb 0.15 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1vdd h TYR 153 CO 0.00 0.63 0.40 -0.07 -1.64 0.00 0.00 178.16 177.49 1vdd h LEU 154 N 0.25 0.91 0.10 2.82 3.38 0.49 -1.23 115.31 122.04 1vdd h LEU 154 Ca 0.07 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1vdd h LEU 154 Cb 0.43 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1vdd h LEU 154 CO 0.01 0.74 -0.24 -0.61 0.09 0.00 0.00 178.44 178.44 1vdd h GLN 155 N 1.01 -0.42 -0.12 1.13 4.15 -0.01 0.12 115.11 120.98 1vdd h GLN 155 Ca 0.26 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.75 1vdd h GLN 155 Cb 0.03 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.75 1vdd h GLN 155 CO -0.04 -0.28 -0.36 0.00 -1.93 0.00 0.00 178.83 176.22 1vdd h ARG 156 N -0.43 -0.42 -0.04 1.69 2.47 -1.00 -0.58 114.38 116.06 1vdd h ARG 156 Ca 0.03 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1vdd h ARG 156 Cb 0.47 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 1vdd h ARG 156 CO -0.15 -0.28 -0.12 -0.07 0.56 0.00 0.00 179.97 179.91 1vdd h LEU 157 N -0.44 -0.35 -1.30 3.04 3.38 -0.91 -2.84 115.31 115.89 1vdd h LEU 157 Ca 0.09 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1vdd h LEU 157 Cb 0.58 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1vdd h LEU 157 CO -0.36 -0.16 -0.21 -0.07 0.09 0.00 0.00 178.44 177.72 1vdd h LEU 158 N -0.18 0.00 -0.97 1.67 3.38 -0.56 -3.35 115.31 115.30 1vdd h LEU 158 Ca 0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1vdd h LEU 158 Cb 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.89 1vdd h LEU 158 CO -0.15 0.21 -0.56 1.21 0.09 0.00 0.00 178.44 179.24 1vdd n GLU 159 N -3.47 -0.42 -0.16 1.13 4.07 -0.24 -0.87 120.64 120.69 1vdd n GLU 159 Ca -0.00 1.47 0.28 0.00 -0.06 0.00 0.00 57.16 58.85 1vdd n GLU 159 Cb 0.39 -2.16 0.72 0.00 -0.06 0.00 0.00 31.44 30.33 1vdd n GLU 159 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1vdd h PRO 160 N 0.00 0.00 -7.19 5.31 0.13 -1.75 -3.40 132.00 125.10 1vdd h PRO 160 Ca 0.17 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.81 1vdd h PRO 160 Cb 0.41 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.58 1vdd h PRO 160 CO -0.92 0.00 0.38 -0.51 -0.23 0.00 0.00 178.00 176.72 1vdd s LEU 161 N -8.32 3.57 -0.08 1.56 1.02 -0.05 -4.94 118.68 111.45 1vdd s LEU 161 Ca -0.05 1.70 0.00 0.00 0.02 0.00 0.00 54.13 55.81 1vdd s LEU 161 Cb 0.21 -4.52 0.08 0.00 0.02 0.00 0.00 46.19 41.97 1vdd s LEU 161 CO 0.74 -0.87 1.61 0.61 0.02 0.00 0.00 176.35 178.45 1vdd n GLY 162 N -1.23 2.68 3.93 -3.19 0.00 -1.26 -4.93 105.19 101.19 1vdd n GLY 162 Ca 0.08 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1vdd n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdd s ALA 163 N -0.50 3.87 -0.05 4.61 0.00 -1.23 -3.87 121.76 124.60 1vdd s ALA 163 Ca 0.08 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1vdd s ALA 163 Cb 0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 1vdd s ALA 163 CO 0.01 0.34 0.95 0.00 0.00 0.00 0.00 175.76 177.05 1vdd s ALA 164 N -1.92 3.28 -0.13 0.00 0.00 0.51 -4.88 121.76 118.62 1vdd s ALA 164 Ca 0.34 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 1vdd s ALA 164 Cb -0.09 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1vdd s ALA 164 CO 0.28 -0.37 -0.00 0.42 0.00 0.00 0.00 175.76 176.09 1vdd s ILE 165 N 1.40 4.26 0.07 0.00 1.01 -1.26 0.85 121.20 127.53 1vdd s ILE 165 Ca 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1vdd s ILE 165 Cb -0.19 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1vdd s ILE 165 CO 0.23 0.54 -0.05 -0.94 0.00 0.00 0.00 174.94 174.72 1vdd s SER 166 N -0.26 0.75 0.06 3.58 1.04 0.15 -4.93 113.70 114.09 1vdd s SER 166 Ca 0.06 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 55.65 1vdd s SER 166 Cb -0.12 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1vdd s SER 166 CO 0.02 -0.49 -0.22 -0.60 0.98 0.00 0.00 173.24 172.93 1vdd s ARG 167 N -3.48 1.41 0.73 4.02 6.06 -1.26 0.15 118.95 126.58 1vdd s ARG 167 Ca 0.05 -1.02 -0.13 0.00 -2.50 0.00 0.00 55.73 52.13 1vdd s ARG 167 Cb 0.04 -1.57 0.04 0.00 0.06 0.00 0.00 34.95 33.51 1vdd s ARG 167 CO -0.06 0.40 1.13 0.96 -2.50 0.00 0.00 175.30 175.22 1vdd s ILE 168 N -0.87 2.95 -0.17 4.11 -4.36 -0.97 -4.88 121.20 117.02 1vdd s ILE 168 Ca 0.08 0.40 -0.29 0.00 -0.26 0.00 0.00 60.65 60.58 1vdd s ILE 168 Cb -0.09 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.72 1vdd s ILE 168 CO 0.02 -0.31 1.43 0.00 0.24 0.00 0.00 174.94 176.32 1vdd s ALA 169 N -2.43 3.53 0.20 2.27 0.00 -1.26 -4.99 121.76 119.08 1vdd s ALA 169 Ca 0.67 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1vdd s ALA 169 Cb -0.22 -3.72 -0.08 0.00 0.00 0.00 0.00 23.12 19.10 1vdd s ALA 169 CO 0.47 -1.47 1.20 0.71 0.00 0.00 0.00 175.76 176.68 1vdd s TYR 170 N 4.09 3.41 0.00 0.00 1.51 -1.26 -4.94 117.35 120.16 1vdd s TYR 170 Ca 0.63 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 58.12 1vdd s TYR 170 Cb -0.24 -3.44 0.00 0.00 -0.11 0.00 0.00 41.96 38.17 1vdd s TYR 170 CO 0.22 -1.23 0.00 0.41 -1.11 0.00 0.00 175.55 173.84 1vdd n GLY 171 N 2.07 -0.66 3.77 0.71 0.00 -1.26 -4.30 105.19 105.52 1vdd n GLY 171 Ca 0.04 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1vdd n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vdd s VAL 172 N -2.00 2.95 0.67 1.61 -7.23 -1.26 -4.94 120.40 110.21 1vdd s VAL 172 Ca 0.00 0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 60.96 1vdd s VAL 172 Cb 0.00 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1vdd s VAL 172 CO 0.00 0.17 1.05 -2.16 -0.31 0.00 0.00 175.10 173.85 1vdd s PRO 173 N -1.94 3.12 0.14 4.82 0.04 -1.26 -5.00 135.00 134.92 1vdd s PRO 173 Ca 0.52 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1vdd s PRO 173 Cb -0.36 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 1vdd s PRO 173 CO 0.46 -0.95 1.25 0.08 0.04 0.00 0.00 177.00 177.89 1vdd s VAL 174 N -3.09 3.60 0.00 -0.36 1.01 -1.26 -3.74 120.40 116.56 1vdd s VAL 174 Ca 0.57 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1vdd s VAL 174 Cb -0.13 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1vdd s VAL 174 CO 0.55 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1vdd n GLY 175 N 2.79 0.99 3.21 4.51 0.00 -1.26 -5.09 105.19 110.33 1vdd n GLY 175 Ca 0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1vdd n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vdd s GLY 176 N -2.57 1.36 0.05 -0.02 0.00 -1.25 -5.16 107.32 99.73 1vdd s GLY 176 Ca 0.00 -1.66 0.07 0.00 0.00 0.00 0.00 44.72 43.13 1vdd s GLY 176 CO 0.00 -1.42 -0.20 -1.35 0.00 0.00 0.00 173.10 170.12 1vdd s SER 177 N -3.15 2.44 0.39 1.64 1.04 -1.26 -5.03 113.70 109.76 1vdd s SER 177 Ca 0.35 -0.53 0.20 0.00 0.48 0.00 0.00 55.95 56.44 1vdd s SER 177 Cb 0.07 -0.20 1.17 0.00 0.10 0.00 0.00 66.02 67.16 1vdd s SER 177 CO 0.09 0.15 1.70 -0.07 0.98 0.00 0.00 173.24 176.09 1vdd h LEU 178 N 4.83 0.43 -1.23 2.42 3.38 -2.00 -1.70 115.31 121.44 1vdd h LEU 178 Ca -0.42 0.13 0.18 0.00 0.09 0.00 0.00 57.88 57.85 1vdd h LEU 178 Cb 1.16 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1vdd h LEU 178 CO 0.44 -0.05 0.60 -0.08 0.09 0.00 0.00 178.44 179.44 1vdd h GLU 179 N 0.31 0.65 -0.58 1.13 4.57 -2.02 -0.84 114.58 117.80 1vdd h GLU 179 Ca 0.70 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 1vdd h GLU 179 Cb 1.81 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 1vdd h GLU 179 CO -0.43 0.43 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 1vdd n TYR 180 N -4.62 1.28 -3.50 0.92 4.02 -0.64 -4.94 117.16 109.68 1vdd n TYR 180 Ca 0.20 -0.62 -0.37 0.00 -0.01 0.00 0.00 57.90 57.10 1vdd n TYR 180 Cb 0.56 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.61 1vdd n TYR 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1vdd s THR 181 N -1.79 5.25 0.51 -0.72 2.01 -0.32 -5.00 115.64 115.57 1vdd s THR 181 Ca 0.47 0.67 -0.21 0.00 0.31 0.00 0.00 61.69 62.93 1vdd s THR 181 Cb 0.30 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 1vdd s THR 181 CO 0.23 0.42 0.93 -0.67 -0.69 0.00 0.00 174.62 174.83 1vdd n ASP 182 N 3.24 0.76 0.06 3.53 -0.08 -1.26 -4.78 116.55 118.01 1vdd n ASP 182 Ca -0.11 0.90 -0.11 0.00 -1.51 0.00 0.00 54.79 53.96 1vdd n ASP 182 Cb 0.52 -1.34 -0.05 0.00 2.34 0.00 0.00 41.12 42.59 1vdd n ASP 182 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1vdd h GLU 183 N 0.96 -0.29 0.00 -0.67 3.07 -1.96 -1.76 114.58 113.93 1vdd h GLU 183 Ca -0.46 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.38 1vdd h GLU 183 Cb 1.36 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.33 1vdd h GLU 183 CO 0.53 -0.19 -0.17 0.28 -1.40 0.00 0.00 179.01 178.06 1vdd h VAL 184 N -0.30 1.01 0.31 3.13 2.07 -1.99 -1.53 116.25 118.95 1vdd h VAL 184 Ca 0.05 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1vdd h VAL 184 Cb 0.37 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1vdd h VAL 184 CO -0.17 0.16 -0.15 0.74 0.02 0.00 0.00 177.57 178.18 1vdd h THR 185 N 0.00 0.67 -0.60 2.57 2.02 -1.79 -2.63 112.91 113.16 1vdd h THR 185 Ca -0.00 -0.62 0.12 0.00 0.77 0.00 0.00 66.41 66.68 1vdd h THR 185 Cb 0.32 0.97 -0.10 0.00 -1.74 0.00 0.00 68.15 67.60 1vdd h THR 185 CO 0.02 0.12 0.01 -0.07 0.37 0.00 0.00 175.52 175.96 1vdd h LEU 186 N -0.79 -0.25 -2.24 2.58 3.38 -0.94 0.45 115.31 117.50 1vdd h LEU 186 Ca -0.04 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1vdd h LEU 186 Cb 0.51 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1vdd h LEU 186 CO 0.07 -0.10 0.05 1.23 0.09 0.00 0.00 178.44 179.77 1vdd h GLY 187 N 0.12 0.00 0.97 0.83 0.00 -1.30 0.15 103.07 103.84 1vdd h GLY 187 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.30 1vdd h GLY 187 CO -0.51 0.00 -1.72 3.21 0.00 0.00 0.00 176.54 177.52 1vdd h ARG 188 N 0.00 0.32 0.00 4.80 2.47 0.07 -2.16 114.38 119.88 1vdd h ARG 188 Ca 0.02 -0.55 -0.02 0.00 -1.26 0.00 0.00 59.98 58.17 1vdd h ARG 188 Cb 0.12 0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1vdd h ARG 188 CO -0.00 1.21 -0.12 0.00 0.56 0.00 0.00 179.97 181.63 1vdd h ALA 189 N 0.26 1.27 0.00 0.04 0.00 0.35 -0.09 119.26 121.09 1vdd h ALA 189 Ca -0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1vdd h ALA 189 Cb 2.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1vdd h ALA 189 CO 0.16 0.15 -0.31 1.25 0.00 0.00 0.00 179.25 180.50 1vdd h LEU 190 N 0.00 0.00 -2.18 0.00 6.46 -0.78 -3.09 115.31 115.72 1vdd h LEU 190 Ca -0.00 -0.38 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1vdd h LEU 190 Cb 0.34 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1vdd h LEU 190 CO 0.02 0.86 -0.06 0.71 -0.62 0.00 0.00 178.44 179.34 1vdd h THR 191 N -1.00 0.55 -0.57 1.05 1.35 -1.36 -0.23 112.91 112.71 1vdd h THR 191 Ca -0.06 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1vdd h THR 191 Cb 0.61 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1vdd h THR 191 CO -0.04 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1vdd n GLY 192 N -1.00 2.84 3.68 5.82 0.00 -0.05 -4.99 105.19 111.48 1vdd n GLY 192 Ca -0.02 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1vdd n GLY 192 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vdd n ARG 193 N 0.73 1.84 -3.85 1.61 1.85 -0.10 -4.97 116.66 113.77 1vdd n ARG 193 Ca 0.26 0.65 -0.37 0.00 -1.00 0.00 0.00 57.85 57.39 1vdd n ARG 193 Cb 1.08 -2.29 -0.06 0.00 -1.05 0.00 0.00 32.46 30.14 1vdd n ARG 193 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1vdd s GLN 194 N -2.09 3.48 -0.19 2.89 -0.21 -1.26 -5.07 119.66 117.21 1vdd s GLN 194 Ca 0.60 -0.09 -0.25 0.00 0.02 0.00 0.00 55.36 55.64 1vdd s GLN 194 Cb -0.53 -3.19 -0.01 0.00 1.00 0.00 0.00 33.01 30.28 1vdd s GLN 194 CO 0.59 0.77 0.85 0.95 -2.12 0.00 0.00 175.29 176.33 1vdd s THR 195 N -1.04 4.85 -0.65 -0.19 -4.23 -1.26 -4.91 115.64 108.20 1vdd s THR 195 Ca 0.16 1.66 0.23 0.00 -1.18 0.00 0.00 61.69 62.57 1vdd s THR 195 Cb -0.12 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 1vdd s THR 195 CO 0.05 -0.02 1.16 1.33 -0.54 0.00 0.00 174.62 176.60 1vdd n VAL 196 N 4.94 0.23 -3.63 2.29 0.24 -1.26 -4.90 118.33 116.24 1vdd n VAL 196 Ca 0.06 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 1vdd n VAL 196 Cb 0.48 0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 1vdd n VAL 196 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1vdd s SER 197 N -3.99 -0.74 -0.21 -1.34 1.04 -1.26 -5.14 113.70 102.07 1vdd s SER 197 Ca 0.05 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 57.78 1vdd s SER 197 Cb 0.14 1.33 -0.00 0.00 0.10 0.00 0.00 66.02 67.59 1vdd s SER 197 CO 0.76 -0.22 -0.07 -0.54 0.98 0.00 0.00 173.24 174.15 1vdd s LYS 198 N 0.76 3.32 0.00 4.02 -0.14 -1.26 -5.25 119.74 121.18 1vdd s LYS 198 Ca -0.03 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 1vdd s LYS 198 Cb -0.05 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 1vdd s LYS 198 CO -0.07 -0.17 0.25 -0.35 -0.76 0.00 0.00 175.35 174.24